diffpy.Structure.SpaceGroups

Source Code for Module diffpy.Structure.SpaceGroups

1 ## Copyright 2002 by PyMMLib Development Group (see AUTHORS file) 2 ## This code is part of the PyMMLib distribution and governed by 3 ## its license. Please see the LICENSE file that should have been 4 ## included as part of this package. 5 """Symmetry operations as functions on vectors or arrays. 6 """ 7 import os 8 import sys 9 import types 10 import numpy 11 12 # Move me!

13 -def warning(x):

14 """Writes warnings out to the file given in the environment variable 15 STRUCTURE_WARNING. This can be set to a file path, "stdout", "stderr", or a 16 empty string for no action. 17 """ 18 x = "WARNING: %s\n" % (x) 19 path = os.environ.get("STRUCTURE_WARNING", "stderr") 20 21 try: 22 if path == "": 23 return 24 elif path == "stdout": 25 sys.stdout.write(x) 26 elif path == "stderr": 27 sys.stderr.write(x) 28 else: 29 open(path, "a").write(x) 30 except IOError: 31 pass

32 33 ## 64 unique rotation matricies 34 Rot_Z_mY_X = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]], float) 35 Rot_Y_mX_mZ = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 36 Rot_XmY_X_mZ = numpy.array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 37 Rot_mX_Y_mZ = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 38 Rot_X_mZ_Y = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]], float) 39 Rot_Y_mXY_Z = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 40 Rot_Y_mX_Z = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 41 Rot_XmY_X_Z = numpy.array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 42 Rot_mX_mXY_mZ = numpy.array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 43 Rot_Y_Z_X = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]], float) 44 Rot_mY_mZ_X = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]], float) 45 Rot_X_Z_mY = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]], float) 46 Rot_XmY_mY_Z = numpy.array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 47 Rot_Y_X_mZ = numpy.array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 48 Rot_Y_mZ_X = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]], float) 49 Rot_mXY_Y_Z = numpy.array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 50 Rot_mX_mY_mZ = numpy.array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 51 Rot_X_Y_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 52 Rot_mXY_mX_Z = numpy.array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 53 Rot_mZ_mY_mX = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]], float) 54 Rot_X_mZ_mY = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]], float) 55 Rot_X_Y_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 56 Rot_mY_mX_mZ = numpy.array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 57 Rot_mY_X_Z = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 58 Rot_Z_X_Y = numpy.array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float) 59 Rot_X_XmY_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 60 Rot_mY_X_mZ = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 61 Rot_mY_Z_mX = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]], float) 62 Rot_mY_Z_X = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]], float) 63 Rot_mX_mZ_mY = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]], float) 64 Rot_mX_Z_Y = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]], float) 65 Rot_mZ_mX_mY = numpy.array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float) 66 Rot_X_XmY_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 67 Rot_mY_XmY_mZ = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 68 Rot_Z_X_mY = numpy.array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float) 69 Rot_mZ_mY_X = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]], float) 70 Rot_X_Z_Y = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]], float) 71 Rot_Z_mX_mY = numpy.array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float) 72 Rot_mX_Z_mY = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]], float) 73 Rot_X_mY_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 74 Rot_mY_mX_Z = numpy.array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 75 Rot_Z_mY_mX = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]], float) 76 Rot_mX_mY_Z = numpy.array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 77 Rot_Z_Y_X = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]], float) 78 Rot_mZ_Y_mX = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]], float) 79 Rot_Y_Z_mX = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]], float) 80 Rot_mY_XmY_Z = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 81 Rot_mXY_Y_mZ = numpy.array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 82 Rot_mZ_mX_Y = numpy.array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float) 83 Rot_mX_mZ_Y = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]], float) 84 Rot_mX_Y_Z = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 85 Rot_X_mY_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 86 Rot_mZ_X_Y = numpy.array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float) 87 Rot_Y_mZ_mX = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]], float) 88 Rot_mY_mZ_mX = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]], float) 89 Rot_mZ_Y_X = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]], float) 90 Rot_Z_Y_mX = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]], float) 91 Rot_mXY_mX_mZ = numpy.array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float) 92 Rot_XmY_mY_mZ = numpy.array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 93 Rot_Z_mX_Y = numpy.array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float) 94 Rot_mX_mXY_Z = numpy.array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float) 95 Rot_Y_mXY_mZ = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float) 96 Rot_mZ_X_mY = numpy.array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float) 97 Rot_Y_X_Z = numpy.array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float) 98 99 ## 32 unique translation vectors 100 Tr_0_0_34 = numpy.array([ 0.0, 0.0, 3.0/4.0 ], float) 101 Tr_12_0_34 = numpy.array([ 1.0/2.0, 0.0, 3.0/4.0 ], float) 102 Tr_0_0_56 = numpy.array([ 0.0, 0.0, 5.0/6.0 ], float) 103 Tr_12_0_12 = numpy.array([ 1.0/2.0, 0.0, 1.0/2.0 ], float) 104 Tr_0_12_12 = numpy.array([ 0.0, 1.0/2.0, 1.0/2.0 ], float) 105 Tr_12_0_14 = numpy.array([ 1.0/2.0, 0.0, 1.0/4.0 ], float) 106 Tr_0_12_14 = numpy.array([ 0.0, 1.0/2.0, 1.0/4.0 ], float) 107 Tr_14_14_14 = numpy.array([ 1.0/4.0, 1.0/4.0, 1.0/4.0 ], float) 108 Tr_0_12_34 = numpy.array([ 0.0, 1.0/2.0, 3.0/4.0 ], float) 109 Tr_34_14_14 = numpy.array([ 3.0/4.0, 1.0/4.0, 1.0/4.0 ], float) 110 Tr_0_0_0 = numpy.array([ 0.0, 0.0, 0.0 ], float) 111 Tr_23_13_56 = numpy.array([ 2.0/3.0, 1.0/3.0, 5.0/6.0 ], float) 112 Tr_14_14_34 = numpy.array([ 1.0/4.0, 1.0/4.0, 3.0/4.0 ], float) 113 Tr_12_12_0 = numpy.array([ 1.0/2.0, 1.0/2.0, 0.0 ], float) 114 Tr_23_13_13 = numpy.array([ 2.0/3.0, 1.0/3.0, 1.0/3.0 ], float) 115 Tr_13_23_23 = numpy.array([ 1.0/3.0, 2.0/3.0, 2.0/3.0 ], float) 116 Tr_12_12_12 = numpy.array([ 1.0/2.0, 1.0/2.0, 1.0/2.0 ], float) 117 Tr_12_12_14 = numpy.array([ 1.0/2.0, 1.0/2.0, 1.0/4.0 ], float) 118 Tr_14_34_14 = numpy.array([ 1.0/4.0, 3.0/4.0, 1.0/4.0 ], float) 119 Tr_12_12_34 = numpy.array([ 1.0/2.0, 1.0/2.0, 3.0/4.0 ], float) 120 Tr_0_0_23 = numpy.array([ 0.0, 0.0, 2.0/3.0 ], float) 121 Tr_0_12_0 = numpy.array([ 0.0, 1.0/2.0, 0.0 ], float) 122 Tr_14_34_34 = numpy.array([ 1.0/4.0, 3.0/4.0, 3.0/4.0 ], float) 123 Tr_34_34_14 = numpy.array([ 3.0/4.0, 3.0/4.0, 1.0/4.0 ], float) 124 Tr_12_0_0 = numpy.array([ 1.0/2.0, 0.0, 0.0 ], float) 125 Tr_34_34_34 = numpy.array([ 3.0/4.0, 3.0/4.0, 3.0/4.0 ], float) 126 Tr_0_0_13 = numpy.array([ 0.0, 0.0, 1.0/3.0 ], float) 127 Tr_0_0_12 = numpy.array([ 0.0, 0.0, 1.0/2.0 ], float) 128 Tr_13_23_16 = numpy.array([ 1.0/3.0, 2.0/3.0, 1.0/6.0 ], float) 129 Tr_0_0_14 = numpy.array([ 0.0, 0.0, 1.0/4.0 ], float) 130 Tr_0_0_16 = numpy.array([ 0.0, 0.0, 1.0/6.0 ], float) 131 Tr_34_14_34 = numpy.array([ 3.0/4.0, 1.0/4.0, 3.0/4.0 ], float) 132 133

134 -class SymOp(object):

135 """A subclass of the tuple class for performing one symmetry operation. 136 """

137 - def __init__(self, R, t):

138 self.R = R 139 self.t = t

140

141 - def __str__(self):

142 x = "[%6.3f %6.3f %6.3f %6.3f]\n" % ( 143 self.R[0,0], self.R[0,1], self.R[0,2], self.t[0]) 144 x += "[%6.3f %6.3f %6.3f %6.3f]\n" % ( 145 self.R[1,0], self.R[1,1], self.R[1,2], self.t[1]) 146 x += "[%6.3f %6.3f %6.3f %6.3f]\n" % ( 147 self.R[2,0], self.R[2,1], self.R[2,2], self.t[2]) 148 return x

149

150 - def __call__(self, vec):

151 """Return the symmetry operation on argument vector and. 152 """ 153 return numpy.dot(self.R, vec) + self.t

154

155 - def __eq__(self, symop):

156 return numpy.allclose(self.R, symop[0]) and numpy.allclose(self.t, symop[1])

157

158 - def is_identity(self):

159 """Returns True if this SymOp is a identity symmetry operation 160 (no rotation, no translation), otherwise returns False. 161 """ 162 if numpy.allclose(self.R, numpy.identity(3, float)) and \ 163 numpy.allclose(self.t, numpy.zeros(3, float)): 164 return True

165 166

167 -class SpaceGroup(object):

168 """Contains the various names and symmetry operations for one space 169 group. 170 """

171 - def __init__(self, 172 number = None, 173 num_sym_equiv = None, 174 num_primitive_sym_equiv = None, 175 short_name = None, 176 alt_name = None, 177 point_group_name = None, 178 crystal_system = None, 179 pdb_name = None, 180 symop_list = None):

181 182 self.number = number 183 self.num_sym_equiv = num_sym_equiv 184 self.num_primitive_sym_equiv = num_primitive_sym_equiv 185 self.short_name = short_name 186 self.alt_name = alt_name 187 self.point_group_name = point_group_name 188 self.crystal_system = crystal_system 189 self.pdb_name = pdb_name 190 self.symop_list = symop_list

191

192 - def iter_symops(self):

193 """Iterates over all SymOps in the SpaceGroup. 194 """ 195 return iter(self.symop_list)

196

197 - def check_group_name(self, name):

198 """Checks if the given name is a name for this space group, 199 returns True or False. The space group name can be in several forms: 200 the short name, the longer PDB-style name, or the space group number. 201 """ 202 if name == self.short_name: return True 203 if name == self.alt_name: return True 204 if name == self.pdb_name: return True 205 if name == self.point_group_name: return True 206 if name == self.number: return True 207 return False

208

209 - def iter_equivalent_positions(self, vec):

210 """Iterate the symmetry equivelant positions of the argument vector. 211 The vector must already be in fractional coordinates, and the 212 symmetry equivelant vectors are also in fractional coordinates. 213 """ 214 for symop in self.symop_list: 215 yield symop(vec)

216 217 218 ## spacegroup definitions 219 sg1 = SpaceGroup( 220 number = 1, 221 num_sym_equiv = 1, 222 num_primitive_sym_equiv = 1, 223 short_name = "P1", 224 alt_name = "P 1", 225 point_group_name = "PG1", 226 crystal_system = "TRICLINIC", 227 pdb_name = "P 1", 228 symop_list = [ 229 SymOp(Rot_X_Y_Z, Tr_0_0_0)]) 230 231 sg2 = SpaceGroup( 232 number = 2, 233 num_sym_equiv = 2, 234 num_primitive_sym_equiv = 2, 235 short_name = "P-1", 236 alt_name = "P -1", 237 point_group_name = "PG1bar", 238 crystal_system = "TRICLINIC", 239 pdb_name = "P -1", 240 symop_list = [ 241 SymOp(Rot_X_Y_Z, Tr_0_0_0), 242 SymOp(Rot_mX_mY_mZ, Tr_0_0_0)]) 243 244 sg3 = SpaceGroup( 245 number = 3, 246 num_sym_equiv = 2, 247 num_primitive_sym_equiv = 2, 248 short_name = "P2", 249 alt_name = "P 2", 250 point_group_name = "PG2", 251 crystal_system = "MONOCLINIC", 252 pdb_name = "P 1 2 1", 253 symop_list = [ 254 SymOp(Rot_X_Y_Z, Tr_0_0_0), 255 SymOp(Rot_mX_Y_mZ, Tr_0_0_0)]) 256 257 sg4 = SpaceGroup( 258 number = 4, 259 num_sym_equiv = 2, 260 num_primitive_sym_equiv = 2, 261 short_name = "P21", 262 alt_name = "P 21", 263 point_group_name = "PG2", 264 crystal_system = "MONOCLINIC", 265 pdb_name = "P 1 21 1", 266 symop_list = [ 267 SymOp(Rot_X_Y_Z, Tr_0_0_0), 268 SymOp(Rot_mX_Y_mZ, Tr_0_12_0)]) 269 270 sg5 = SpaceGroup( 271 number = 5, 272 num_sym_equiv = 4, 273 num_primitive_sym_equiv = 2, 274 short_name = "C2", 275 alt_name = "C 2", 276 point_group_name = "PG2", 277 crystal_system = "MONOCLINIC", 278 pdb_name = "C 1 2 1", 279 symop_list = [ 280 SymOp(Rot_X_Y_Z, Tr_0_0_0), 281 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 282 SymOp(Rot_X_Y_Z, Tr_12_12_0), 283 SymOp(Rot_mX_Y_mZ, Tr_12_12_0)]) 284 285 sg6 = SpaceGroup( 286 number = 6, 287 num_sym_equiv = 2, 288 num_primitive_sym_equiv = 2, 289 short_name = "Pm", 290 alt_name = "P M", 291 point_group_name = "PGm", 292 crystal_system = "MONOCLINIC", 293 pdb_name = "P 1 m 1", 294 symop_list = [ 295 SymOp(Rot_X_Y_Z, Tr_0_0_0), 296 SymOp(Rot_X_mY_Z, Tr_0_0_0)]) 297 298 sg7 = SpaceGroup( 299 number = 7, 300 num_sym_equiv = 2, 301 num_primitive_sym_equiv = 2, 302 short_name = "Pc", 303 alt_name = "P C", 304 point_group_name = "PGm", 305 crystal_system = "MONOCLINIC", 306 pdb_name = "P 1 c 1", 307 symop_list = [ 308 SymOp(Rot_X_Y_Z, Tr_0_0_0), 309 SymOp(Rot_X_mY_Z, Tr_0_0_12)]) 310 311 sg8 = SpaceGroup( 312 number = 8, 313 num_sym_equiv = 4, 314 num_primitive_sym_equiv = 2, 315 short_name = "Cm", 316 alt_name = "C M", 317 point_group_name = "PGm", 318 crystal_system = "MONOCLINIC", 319 pdb_name = "C 1 m 1", 320 symop_list = [ 321 SymOp(Rot_X_Y_Z, Tr_0_0_0), 322 SymOp(Rot_X_mY_Z, Tr_0_0_0), 323 SymOp(Rot_X_Y_Z, Tr_12_12_0), 324 SymOp(Rot_X_mY_Z, Tr_12_12_0)]) 325 326 sg9 = SpaceGroup( 327 number = 9, 328 num_sym_equiv = 4, 329 num_primitive_sym_equiv = 2, 330 short_name = "Cc", 331 alt_name = "C C", 332 point_group_name = "PGm", 333 crystal_system = "MONOCLINIC", 334 pdb_name = "C 1 c 1", 335 symop_list = [ 336 SymOp(Rot_X_Y_Z, Tr_0_0_0), 337 SymOp(Rot_X_mY_Z, Tr_0_0_12), 338 SymOp(Rot_X_Y_Z, Tr_12_12_0), 339 SymOp(Rot_X_mY_Z, Tr_12_12_12)]) 340 341 sg10 = SpaceGroup( 342 number = 10, 343 num_sym_equiv = 4, 344 num_primitive_sym_equiv = 4, 345 short_name = "P2/m", 346 alt_name = "P 2/M", 347 point_group_name = "PG2/m", 348 crystal_system = "MONOCLINIC", 349 pdb_name = "P 1 2/m 1", 350 symop_list = [ 351 SymOp(Rot_X_Y_Z, Tr_0_0_0), 352 SymOp(Rot_X_mY_Z, Tr_0_0_0), 353 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 354 SymOp(Rot_mX_mY_mZ, Tr_0_0_0)]) 355 356 sg11 = SpaceGroup( 357 number = 11, 358 num_sym_equiv = 4, 359 num_primitive_sym_equiv = 4, 360 short_name = "P21/m", 361 alt_name = "P 21/M", 362 point_group_name = "PG2/m", 363 crystal_system = "MONOCLINIC", 364 pdb_name = "P 1 21/m 1", 365 symop_list = [ 366 SymOp(Rot_X_Y_Z, Tr_0_0_0), 367 SymOp(Rot_mX_Y_mZ, Tr_0_12_0), 368 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 369 SymOp(Rot_X_mY_Z, Tr_0_12_0)]) 370 371 sg12 = SpaceGroup( 372 number = 12, 373 num_sym_equiv = 8, 374 num_primitive_sym_equiv = 4, 375 short_name = "C2/m", 376 alt_name = "C 2/M", 377 point_group_name = "PG2/m", 378 crystal_system = "MONOCLINIC", 379 pdb_name = "C 1 2/m 1", 380 symop_list = [ 381 SymOp(Rot_X_Y_Z, Tr_0_0_0), 382 SymOp(Rot_X_mY_Z, Tr_0_0_0), 383 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 384 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 385 SymOp(Rot_X_Y_Z, Tr_12_12_0), 386 SymOp(Rot_X_mY_Z, Tr_12_12_0), 387 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 388 SymOp(Rot_mX_mY_mZ, Tr_12_12_0)]) 389 390 sg13 = SpaceGroup( 391 number = 13, 392 num_sym_equiv = 4, 393 num_primitive_sym_equiv = 4, 394 short_name = "P2/c", 395 alt_name = "P 2/C", 396 point_group_name = "PG2/m", 397 crystal_system = "MONOCLINIC", 398 pdb_name = "P 1 2/c 1", 399 symop_list = [ 400 SymOp(Rot_X_Y_Z, Tr_0_0_0), 401 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 402 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 403 SymOp(Rot_X_mY_Z, Tr_0_0_12)]) 404 405 sg14 = SpaceGroup( 406 number = 14, 407 num_sym_equiv = 4, 408 num_primitive_sym_equiv = 4, 409 short_name = "P21/c", 410 alt_name = "P 21/C", 411 point_group_name = "PG2/m", 412 crystal_system = "MONOCLINIC", 413 pdb_name = "P 1 21/c 1", 414 symop_list = [ 415 SymOp(Rot_X_Y_Z, Tr_0_0_0), 416 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 417 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 418 SymOp(Rot_X_mY_Z, Tr_0_12_12)]) 419 420 sg15 = SpaceGroup( 421 number = 15, 422 num_sym_equiv = 8, 423 num_primitive_sym_equiv = 4, 424 short_name = "C2/c", 425 alt_name = "C 2/C", 426 point_group_name = "PG2/m", 427 crystal_system = "MONOCLINIC", 428 pdb_name = "C 1 2/c 1", 429 symop_list = [ 430 SymOp(Rot_X_Y_Z, Tr_0_0_0), 431 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 432 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 433 SymOp(Rot_X_mY_Z, Tr_0_0_12), 434 SymOp(Rot_X_Y_Z, Tr_12_12_0), 435 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 436 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 437 SymOp(Rot_X_mY_Z, Tr_12_12_12)]) 438 439 sg16 = SpaceGroup( 440 number = 16, 441 num_sym_equiv = 4, 442 num_primitive_sym_equiv = 4, 443 short_name = "P222", 444 alt_name = "P 2 2 2", 445 point_group_name = "PG222", 446 crystal_system = "ORTHORHOMBIC", 447 pdb_name = "P 2 2 2", 448 symop_list = [ 449 SymOp(Rot_X_Y_Z, Tr_0_0_0), 450 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 451 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 452 SymOp(Rot_X_mY_mZ, Tr_0_0_0)]) 453 454 sg17 = SpaceGroup( 455 number = 17, 456 num_sym_equiv = 4, 457 num_primitive_sym_equiv = 4, 458 short_name = "P2221", 459 alt_name = "P 2 2 21", 460 point_group_name = "PG222", 461 crystal_system = "ORTHORHOMBIC", 462 pdb_name = "P 2 2 21", 463 symop_list = [ 464 SymOp(Rot_X_Y_Z, Tr_0_0_0), 465 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 466 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 467 SymOp(Rot_X_mY_mZ, Tr_0_0_0)]) 468 469 sg18 = SpaceGroup( 470 number = 18, 471 num_sym_equiv = 4, 472 num_primitive_sym_equiv = 4, 473 short_name = "P21212", 474 alt_name = "P 21 21 2", 475 point_group_name = "PG222", 476 crystal_system = "ORTHORHOMBIC", 477 pdb_name = "P 21 21 2", 478 symop_list = [ 479 SymOp(Rot_X_Y_Z, Tr_0_0_0), 480 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 481 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 482 SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) 483 484 sg19 = SpaceGroup( 485 number = 19, 486 num_sym_equiv = 4, 487 num_primitive_sym_equiv = 4, 488 short_name = "P212121", 489 alt_name = "P 21 21 21", 490 point_group_name = "PG222", 491 crystal_system = "ORTHORHOMBIC", 492 pdb_name = "P 21 21 21", 493 symop_list = [ 494 SymOp(Rot_X_Y_Z, Tr_0_0_0), 495 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 496 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 497 SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) 498 499 sg20 = SpaceGroup( 500 number = 20, 501 num_sym_equiv = 8, 502 num_primitive_sym_equiv = 4, 503 short_name = "C2221", 504 alt_name = "C 2 2 21", 505 point_group_name = "PG222", 506 crystal_system = "ORTHORHOMBIC", 507 pdb_name = "C 2 2 21", 508 symop_list = [ 509 SymOp(Rot_X_Y_Z, Tr_0_0_0), 510 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 511 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 512 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 513 SymOp(Rot_X_Y_Z, Tr_12_12_0), 514 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 515 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 516 SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) 517 518 sg21 = SpaceGroup( 519 number = 21, 520 num_sym_equiv = 8, 521 num_primitive_sym_equiv = 4, 522 short_name = "C222", 523 alt_name = "C 2 2 2", 524 point_group_name = "PG222", 525 crystal_system = "ORTHORHOMBIC", 526 pdb_name = "C 2 2 2", 527 symop_list = [ 528 SymOp(Rot_X_Y_Z, Tr_0_0_0), 529 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 530 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 531 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 532 SymOp(Rot_X_Y_Z, Tr_12_12_0), 533 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 534 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 535 SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) 536 537 sg22 = SpaceGroup( 538 number = 22, 539 num_sym_equiv = 16, 540 num_primitive_sym_equiv = 4, 541 short_name = "F222", 542 alt_name = "F 2 2 2", 543 point_group_name = "PG222", 544 crystal_system = "ORTHORHOMBIC", 545 pdb_name = "F 2 2 2", 546 symop_list = [ 547 SymOp(Rot_X_Y_Z, Tr_0_0_0), 548 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 549 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 550 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 551 SymOp(Rot_X_Y_Z, Tr_0_12_12), 552 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 553 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 554 SymOp(Rot_X_mY_mZ, Tr_0_12_12), 555 SymOp(Rot_X_Y_Z, Tr_12_0_12), 556 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 557 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 558 SymOp(Rot_X_mY_mZ, Tr_12_0_12), 559 SymOp(Rot_X_Y_Z, Tr_12_12_0), 560 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 561 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 562 SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) 563 564 sg23 = SpaceGroup( 565 number = 23, 566 num_sym_equiv = 8, 567 num_primitive_sym_equiv = 4, 568 short_name = "I222", 569 alt_name = "I 2 2 2", 570 point_group_name = "PG222", 571 crystal_system = "ORTHORHOMBIC", 572 pdb_name = "I 2 2 2", 573 symop_list = [ 574 SymOp(Rot_X_Y_Z, Tr_0_0_0), 575 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 576 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 577 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 578 SymOp(Rot_X_Y_Z, Tr_12_12_12), 579 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 580 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 581 SymOp(Rot_mX_Y_mZ, Tr_12_12_12)]) 582 583 sg24 = SpaceGroup( 584 number = 24, 585 num_sym_equiv = 8, 586 num_primitive_sym_equiv = 4, 587 short_name = "I212121", 588 alt_name = "I 21 21 21", 589 point_group_name = "PG222", 590 crystal_system = "ORTHORHOMBIC", 591 pdb_name = "I 21 21 21", 592 symop_list = [ 593 SymOp(Rot_X_Y_Z, Tr_0_0_0), 594 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 595 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 596 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 597 SymOp(Rot_X_Y_Z, Tr_12_12_12), 598 SymOp(Rot_mX_mY_Z, Tr_0_12_0), 599 SymOp(Rot_mX_Y_mZ, Tr_12_0_0), 600 SymOp(Rot_X_mY_mZ, Tr_0_0_12)]) 601 602 sg25 = SpaceGroup( 603 number = 25, 604 num_sym_equiv = 4, 605 num_primitive_sym_equiv = 4, 606 short_name = "Pmm2", 607 alt_name = "P M M 2", 608 point_group_name = "PGmm2", 609 crystal_system = "ORTHORHOMBIC", 610 pdb_name = "P m m 2", 611 symop_list = [ 612 SymOp(Rot_X_Y_Z, Tr_0_0_0), 613 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 614 SymOp(Rot_X_mY_Z, Tr_0_0_0), 615 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 616 617 sg26 = SpaceGroup( 618 number = 26, 619 num_sym_equiv = 4, 620 num_primitive_sym_equiv = 4, 621 short_name = "Pmc21", 622 alt_name = "P M C 21", 623 point_group_name = "PGmm2", 624 crystal_system = "ORTHORHOMBIC", 625 pdb_name = "P m c 21", 626 symop_list = [ 627 SymOp(Rot_X_Y_Z, Tr_0_0_0), 628 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 629 SymOp(Rot_X_mY_Z, Tr_0_0_12), 630 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 631 632 sg27 = SpaceGroup( 633 number = 27, 634 num_sym_equiv = 4, 635 num_primitive_sym_equiv = 4, 636 short_name = "Pcc2", 637 alt_name = "P C C 2", 638 point_group_name = "PGmm2", 639 crystal_system = "ORTHORHOMBIC", 640 pdb_name = "P c c 2", 641 symop_list = [ 642 SymOp(Rot_X_Y_Z, Tr_0_0_0), 643 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 644 SymOp(Rot_X_mY_Z, Tr_0_0_12), 645 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 646 647 sg28 = SpaceGroup( 648 number = 28, 649 num_sym_equiv = 4, 650 num_primitive_sym_equiv = 4, 651 short_name = "Pma2", 652 alt_name = "P M A 2", 653 point_group_name = "PGmm2", 654 crystal_system = "ORTHORHOMBIC", 655 pdb_name = "P m a 2", 656 symop_list = [ 657 SymOp(Rot_X_Y_Z, Tr_0_0_0), 658 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 659 SymOp(Rot_X_mY_Z, Tr_12_0_0), 660 SymOp(Rot_mX_Y_Z, Tr_12_0_0)]) 661 662 sg29 = SpaceGroup( 663 number = 29, 664 num_sym_equiv = 4, 665 num_primitive_sym_equiv = 4, 666 short_name = "Pca21", 667 alt_name = "P C A 21", 668 point_group_name = "PGmm2", 669 crystal_system = "ORTHORHOMBIC", 670 pdb_name = "P c a 21", 671 symop_list = [ 672 SymOp(Rot_X_Y_Z, Tr_0_0_0), 673 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 674 SymOp(Rot_X_mY_Z, Tr_12_0_0), 675 SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) 676 677 sg30 = SpaceGroup( 678 number = 30, 679 num_sym_equiv = 4, 680 num_primitive_sym_equiv = 4, 681 short_name = "Pnc2", 682 alt_name = "P N C 2", 683 point_group_name = "PGmm2", 684 crystal_system = "ORTHORHOMBIC", 685 pdb_name = "P n c 2", 686 symop_list = [ 687 SymOp(Rot_X_Y_Z, Tr_0_0_0), 688 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 689 SymOp(Rot_X_mY_Z, Tr_0_12_12), 690 SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) 691 692 sg31 = SpaceGroup( 693 number = 31, 694 num_sym_equiv = 4, 695 num_primitive_sym_equiv = 4, 696 short_name = "Pmn21", 697 alt_name = "P M N 21", 698 point_group_name = "PGmm2", 699 crystal_system = "ORTHORHOMBIC", 700 pdb_name = "P m n 21", 701 symop_list = [ 702 SymOp(Rot_X_Y_Z, Tr_0_0_0), 703 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 704 SymOp(Rot_X_mY_Z, Tr_12_0_12), 705 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 706 707 sg32 = SpaceGroup( 708 number = 32, 709 num_sym_equiv = 4, 710 num_primitive_sym_equiv = 4, 711 short_name = "Pba2", 712 alt_name = "P B A 2", 713 point_group_name = "PGmm2", 714 crystal_system = "ORTHORHOMBIC", 715 pdb_name = "P b a 2", 716 symop_list = [ 717 SymOp(Rot_X_Y_Z, Tr_0_0_0), 718 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 719 SymOp(Rot_X_mY_Z, Tr_12_12_0), 720 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 721 722 sg33 = SpaceGroup( 723 number = 33, 724 num_sym_equiv = 4, 725 num_primitive_sym_equiv = 4, 726 short_name = "Pna21", 727 alt_name = "P N A 21", 728 point_group_name = "PGmm2", 729 crystal_system = "ORTHORHOMBIC", 730 pdb_name = "P n a 21", 731 symop_list = [ 732 SymOp(Rot_X_Y_Z, Tr_0_0_0), 733 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 734 SymOp(Rot_X_mY_Z, Tr_12_12_0), 735 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 736 737 sg34 = SpaceGroup( 738 number = 34, 739 num_sym_equiv = 4, 740 num_primitive_sym_equiv = 4, 741 short_name = "Pnn2", 742 alt_name = "P N N 2", 743 point_group_name = "PGmm2", 744 crystal_system = "ORTHORHOMBIC", 745 pdb_name = "P n n 2", 746 symop_list = [ 747 SymOp(Rot_X_Y_Z, Tr_0_0_0), 748 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 749 SymOp(Rot_X_mY_Z, Tr_12_12_12), 750 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 751 752 sg35 = SpaceGroup( 753 number = 35, 754 num_sym_equiv = 8, 755 num_primitive_sym_equiv = 4, 756 short_name = "Cmm2", 757 alt_name = "C M M 2", 758 point_group_name = "PGmm2", 759 crystal_system = "ORTHORHOMBIC", 760 pdb_name = "C m m 2", 761 symop_list = [ 762 SymOp(Rot_X_Y_Z, Tr_0_0_0), 763 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 764 SymOp(Rot_X_mY_Z, Tr_0_0_0), 765 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 766 SymOp(Rot_X_Y_Z, Tr_12_12_0), 767 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 768 SymOp(Rot_X_mY_Z, Tr_12_12_0), 769 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 770 771 sg36 = SpaceGroup( 772 number = 36, 773 num_sym_equiv = 8, 774 num_primitive_sym_equiv = 4, 775 short_name = "Cmc21", 776 alt_name = "C M C 21", 777 point_group_name = "PGmm2", 778 crystal_system = "ORTHORHOMBIC", 779 pdb_name = "C m c 21", 780 symop_list = [ 781 SymOp(Rot_X_Y_Z, Tr_0_0_0), 782 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 783 SymOp(Rot_X_mY_Z, Tr_0_0_12), 784 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 785 SymOp(Rot_X_Y_Z, Tr_12_12_0), 786 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 787 SymOp(Rot_X_mY_Z, Tr_12_12_12), 788 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 789 790 sg37 = SpaceGroup( 791 number = 37, 792 num_sym_equiv = 8, 793 num_primitive_sym_equiv = 4, 794 short_name = "Ccc2", 795 alt_name = "C C C 2", 796 point_group_name = "PGmm2", 797 crystal_system = "ORTHORHOMBIC", 798 pdb_name = "C c c 2", 799 symop_list = [ 800 SymOp(Rot_X_Y_Z, Tr_0_0_0), 801 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 802 SymOp(Rot_X_mY_Z, Tr_0_0_12), 803 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 804 SymOp(Rot_X_Y_Z, Tr_12_12_0), 805 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 806 SymOp(Rot_X_mY_Z, Tr_12_12_12), 807 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 808 809 sg38 = SpaceGroup( 810 number = 38, 811 num_sym_equiv = 8, 812 num_primitive_sym_equiv = 4, 813 short_name = "Amm2", 814 alt_name = "A M M 2", 815 point_group_name = "PGmm2", 816 crystal_system = "ORTHORHOMBIC", 817 pdb_name = "A m m 2", 818 symop_list = [ 819 SymOp(Rot_X_Y_Z, Tr_0_0_0), 820 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 821 SymOp(Rot_X_mY_Z, Tr_0_0_0), 822 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 823 SymOp(Rot_X_Y_Z, Tr_0_12_12), 824 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 825 SymOp(Rot_X_mY_Z, Tr_0_12_12), 826 SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) 827 828 sg39 = SpaceGroup( 829 number = 39, 830 num_sym_equiv = 8, 831 num_primitive_sym_equiv = 4, 832 short_name = "Abm2", 833 alt_name = "A B M 2", 834 point_group_name = "PGmm2", 835 crystal_system = "ORTHORHOMBIC", 836 pdb_name = "A b m 2", 837 symop_list = [ 838 SymOp(Rot_X_Y_Z, Tr_0_0_0), 839 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 840 SymOp(Rot_X_mY_Z, Tr_0_12_0), 841 SymOp(Rot_mX_Y_Z, Tr_0_12_0), 842 SymOp(Rot_X_Y_Z, Tr_0_12_12), 843 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 844 SymOp(Rot_X_mY_Z, Tr_0_0_12), 845 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 846 847 sg40 = SpaceGroup( 848 number = 40, 849 num_sym_equiv = 8, 850 num_primitive_sym_equiv = 4, 851 short_name = "Ama2", 852 alt_name = "A M A 2", 853 point_group_name = "PGmm2", 854 crystal_system = "ORTHORHOMBIC", 855 pdb_name = "A m a 2", 856 symop_list = [ 857 SymOp(Rot_X_Y_Z, Tr_0_0_0), 858 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 859 SymOp(Rot_X_mY_Z, Tr_12_0_0), 860 SymOp(Rot_mX_Y_Z, Tr_12_0_0), 861 SymOp(Rot_X_Y_Z, Tr_0_12_12), 862 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 863 SymOp(Rot_X_mY_Z, Tr_12_12_12), 864 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 865 866 sg41 = SpaceGroup( 867 number = 41, 868 num_sym_equiv = 8, 869 num_primitive_sym_equiv = 4, 870 short_name = "Aba2", 871 alt_name = "A B A 2", 872 point_group_name = "PGmm2", 873 crystal_system = "ORTHORHOMBIC", 874 pdb_name = "A b a 2", 875 symop_list = [ 876 SymOp(Rot_X_Y_Z, Tr_0_0_0), 877 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 878 SymOp(Rot_X_mY_Z, Tr_12_12_0), 879 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 880 SymOp(Rot_X_Y_Z, Tr_0_12_12), 881 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 882 SymOp(Rot_X_mY_Z, Tr_12_0_12), 883 SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) 884 885 sg42 = SpaceGroup( 886 number = 42, 887 num_sym_equiv = 16, 888 num_primitive_sym_equiv = 4, 889 short_name = "Fmm2", 890 alt_name = "F M M 2", 891 point_group_name = "PGmm2", 892 crystal_system = "ORTHORHOMBIC", 893 pdb_name = "F m m 2", 894 symop_list = [ 895 SymOp(Rot_X_Y_Z, Tr_0_0_0), 896 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 897 SymOp(Rot_X_mY_Z, Tr_0_0_0), 898 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 899 SymOp(Rot_X_Y_Z, Tr_0_12_12), 900 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 901 SymOp(Rot_X_mY_Z, Tr_0_12_12), 902 SymOp(Rot_mX_Y_Z, Tr_0_12_12), 903 SymOp(Rot_X_Y_Z, Tr_12_0_12), 904 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 905 SymOp(Rot_X_mY_Z, Tr_12_0_12), 906 SymOp(Rot_mX_Y_Z, Tr_12_0_12), 907 SymOp(Rot_X_Y_Z, Tr_12_12_0), 908 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 909 SymOp(Rot_X_mY_Z, Tr_12_12_0), 910 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 911 912 sg43 = SpaceGroup( 913 number = 43, 914 num_sym_equiv = 16, 915 num_primitive_sym_equiv = 4, 916 short_name = "Fdd2", 917 alt_name = "F D D 2", 918 point_group_name = "PGmm2", 919 crystal_system = "ORTHORHOMBIC", 920 pdb_name = "F d d 2", 921 symop_list = [ 922 SymOp(Rot_X_Y_Z, Tr_0_0_0), 923 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 924 SymOp(Rot_X_mY_Z, Tr_14_14_14), 925 SymOp(Rot_mX_Y_Z, Tr_14_14_14), 926 SymOp(Rot_X_Y_Z, Tr_0_12_12), 927 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 928 SymOp(Rot_X_mY_Z, Tr_14_34_34), 929 SymOp(Rot_mX_Y_Z, Tr_14_34_34), 930 SymOp(Rot_X_Y_Z, Tr_12_0_12), 931 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 932 SymOp(Rot_X_mY_Z, Tr_34_14_34), 933 SymOp(Rot_mX_Y_Z, Tr_34_14_34), 934 SymOp(Rot_X_Y_Z, Tr_12_12_0), 935 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 936 SymOp(Rot_X_mY_Z, Tr_34_34_14), 937 SymOp(Rot_mX_Y_Z, Tr_34_34_14)]) 938 939 sg44 = SpaceGroup( 940 number = 44, 941 num_sym_equiv = 8, 942 num_primitive_sym_equiv = 4, 943 short_name = "Imm2", 944 alt_name = "I M M 2", 945 point_group_name = "PGmm2", 946 crystal_system = "ORTHORHOMBIC", 947 pdb_name = "I m m 2", 948 symop_list = [ 949 SymOp(Rot_X_Y_Z, Tr_0_0_0), 950 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 951 SymOp(Rot_X_mY_Z, Tr_0_0_0), 952 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 953 SymOp(Rot_X_Y_Z, Tr_12_12_12), 954 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 955 SymOp(Rot_X_mY_Z, Tr_12_12_12), 956 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 957 958 sg45 = SpaceGroup( 959 number = 45, 960 num_sym_equiv = 8, 961 num_primitive_sym_equiv = 4, 962 short_name = "Iba2", 963 alt_name = "I B A 2", 964 point_group_name = "PGmm2", 965 crystal_system = "ORTHORHOMBIC", 966 pdb_name = "I b a 2", 967 symop_list = [ 968 SymOp(Rot_X_Y_Z, Tr_0_0_0), 969 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 970 SymOp(Rot_X_mY_Z, Tr_12_12_0), 971 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 972 SymOp(Rot_X_Y_Z, Tr_12_12_12), 973 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 974 SymOp(Rot_X_mY_Z, Tr_0_0_12), 975 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 976 977 sg46 = SpaceGroup( 978 number = 46, 979 num_sym_equiv = 8, 980 num_primitive_sym_equiv = 4, 981 short_name = "Ima2", 982 alt_name = "I M A 2", 983 point_group_name = "PGmm2", 984 crystal_system = "ORTHORHOMBIC", 985 pdb_name = "I m a 2", 986 symop_list = [ 987 SymOp(Rot_X_Y_Z, Tr_0_0_0), 988 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 989 SymOp(Rot_X_mY_Z, Tr_12_0_0), 990 SymOp(Rot_mX_Y_Z, Tr_12_0_0), 991 SymOp(Rot_X_Y_Z, Tr_12_12_12), 992 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 993 SymOp(Rot_X_mY_Z, Tr_0_12_12), 994 SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) 995 996 sg47 = SpaceGroup( 997 number = 47, 998 num_sym_equiv = 8, 999 num_primitive_sym_equiv = 8, 1000 short_name = "Pmmm", 1001 alt_name = "P M M M", 1002 point_group_name = "PGmmm", 1003 crystal_system = "ORTHORHOMBIC", 1004 pdb_name = "P 2/m 2/m 2/m", 1005 symop_list = [ 1006 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1007 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1008 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1009 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1010 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1011 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1012 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1013 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 1014 1015 sg48 = SpaceGroup( 1016 number = 48, 1017 num_sym_equiv = 8, 1018 num_primitive_sym_equiv = 8, 1019 short_name = "Pnnn", 1020 alt_name = "P N N N", 1021 point_group_name = "PGmmm", 1022 crystal_system = "ORTHORHOMBIC", 1023 pdb_name = "P 2/n 2/n 2/n", 1024 symop_list = [ 1025 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1026 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1027 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1028 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1029 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1030 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1031 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1032 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1033 1034 sg49 = SpaceGroup( 1035 number = 49, 1036 num_sym_equiv = 8, 1037 num_primitive_sym_equiv = 8, 1038 short_name = "Pccm", 1039 alt_name = "P C C M", 1040 point_group_name = "PGmmm", 1041 crystal_system = "ORTHORHOMBIC", 1042 pdb_name = "P 2/c 2/c 2/m", 1043 symop_list = [ 1044 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1045 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1046 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1047 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 1048 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1049 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1050 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1051 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 1052 1053 sg50 = SpaceGroup( 1054 number = 50, 1055 num_sym_equiv = 8, 1056 num_primitive_sym_equiv = 8, 1057 short_name = "Pban", 1058 alt_name = "P B A N", 1059 point_group_name = "PGmmm", 1060 crystal_system = "ORTHORHOMBIC", 1061 pdb_name = "P 2/b 2/a 2/n", 1062 symop_list = [ 1063 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1064 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1065 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1066 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1067 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1068 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1069 SymOp(Rot_X_mY_Z, Tr_12_12_0), 1070 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1071 1072 sg51 = SpaceGroup( 1073 number = 51, 1074 num_sym_equiv = 8, 1075 num_primitive_sym_equiv = 8, 1076 short_name = "Pmma", 1077 alt_name = "P M M A", 1078 point_group_name = "PGmmm", 1079 crystal_system = "ORTHORHOMBIC", 1080 pdb_name = "P 21/m 2/m 2/a", 1081 symop_list = [ 1082 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1083 SymOp(Rot_mX_mY_Z, Tr_12_0_0), 1084 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1085 SymOp(Rot_X_mY_mZ, Tr_12_0_0), 1086 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1087 SymOp(Rot_X_Y_mZ, Tr_12_0_0), 1088 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1089 SymOp(Rot_mX_Y_Z, Tr_12_0_0)]) 1090 1091 sg52 = SpaceGroup( 1092 number = 52, 1093 num_sym_equiv = 8, 1094 num_primitive_sym_equiv = 8, 1095 short_name = "Pnna", 1096 alt_name = "P N N A", 1097 point_group_name = "PGmmm", 1098 crystal_system = "ORTHORHOMBIC", 1099 pdb_name = "P 2/n 21/n 2/a", 1100 symop_list = [ 1101 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1102 SymOp(Rot_mX_mY_Z, Tr_12_0_0), 1103 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 1104 SymOp(Rot_X_mY_mZ, Tr_0_12_12), 1105 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1106 SymOp(Rot_X_Y_mZ, Tr_12_0_0), 1107 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1108 SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) 1109 1110 sg53 = SpaceGroup( 1111 number = 53, 1112 num_sym_equiv = 8, 1113 num_primitive_sym_equiv = 8, 1114 short_name = "Pmna", 1115 alt_name = "P M N A", 1116 point_group_name = "PGmmm", 1117 crystal_system = "ORTHORHOMBIC", 1118 pdb_name = "P 2/m 2/n 21/a", 1119 symop_list = [ 1120 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1121 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1122 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 1123 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1124 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1125 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1126 SymOp(Rot_X_mY_Z, Tr_12_0_12), 1127 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 1128 1129 sg54 = SpaceGroup( 1130 number = 54, 1131 num_sym_equiv = 8, 1132 num_primitive_sym_equiv = 8, 1133 short_name = "Pcca", 1134 alt_name = "P C C A", 1135 point_group_name = "PGmmm", 1136 crystal_system = "ORTHORHOMBIC", 1137 pdb_name = "P 21/c 2/c 2/a", 1138 symop_list = [ 1139 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1140 SymOp(Rot_mX_mY_Z, Tr_12_0_0), 1141 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1142 SymOp(Rot_X_mY_mZ, Tr_12_0_12), 1143 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1144 SymOp(Rot_X_Y_mZ, Tr_12_0_0), 1145 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1146 SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) 1147 1148 sg55 = SpaceGroup( 1149 number = 55, 1150 num_sym_equiv = 8, 1151 num_primitive_sym_equiv = 8, 1152 short_name = "Pbam", 1153 alt_name = "P B A M", 1154 point_group_name = "PGmmm", 1155 crystal_system = "ORTHORHOMBIC", 1156 pdb_name = "P 21/b 21/a 2/m", 1157 symop_list = [ 1158 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1159 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1160 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1161 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1162 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1163 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1164 SymOp(Rot_X_mY_Z, Tr_12_12_0), 1165 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1166 1167 sg56 = SpaceGroup( 1168 number = 56, 1169 num_sym_equiv = 8, 1170 num_primitive_sym_equiv = 8, 1171 short_name = "Pccn", 1172 alt_name = "P C C N", 1173 point_group_name = "PGmmm", 1174 crystal_system = "ORTHORHOMBIC", 1175 pdb_name = "P 21/c 21/c 2/n", 1176 symop_list = [ 1177 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1178 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1179 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1180 SymOp(Rot_X_mY_mZ, Tr_12_0_12), 1181 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1182 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1183 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1184 SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) 1185 1186 sg57 = SpaceGroup( 1187 number = 57, 1188 num_sym_equiv = 8, 1189 num_primitive_sym_equiv = 8, 1190 short_name = "Pbcm", 1191 alt_name = "P B C M", 1192 point_group_name = "PGmmm", 1193 crystal_system = "ORTHORHOMBIC", 1194 pdb_name = "P 2/b 21/c 21/m", 1195 symop_list = [ 1196 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1197 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1198 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1199 SymOp(Rot_X_mY_mZ, Tr_0_12_0), 1200 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1201 SymOp(Rot_X_Y_mZ, Tr_0_0_12), 1202 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1203 SymOp(Rot_mX_Y_Z, Tr_0_12_0)]) 1204 1205 sg58 = SpaceGroup( 1206 number = 58, 1207 num_sym_equiv = 8, 1208 num_primitive_sym_equiv = 8, 1209 short_name = "Pnnm", 1210 alt_name = "P N N M", 1211 point_group_name = "PGmmm", 1212 crystal_system = "ORTHORHOMBIC", 1213 pdb_name = "P 21/n 21/n 2/m", 1214 symop_list = [ 1215 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1216 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1217 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 1218 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 1219 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1220 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1221 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1222 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1223 1224 sg59 = SpaceGroup( 1225 number = 59, 1226 num_sym_equiv = 8, 1227 num_primitive_sym_equiv = 8, 1228 short_name = "Pmmn", 1229 alt_name = "P M M N", 1230 point_group_name = "PGmmm", 1231 crystal_system = "ORTHORHOMBIC", 1232 pdb_name = "P 21/m 21/m 2/n", 1233 symop_list = [ 1234 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1235 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1236 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1237 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1238 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1239 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1240 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1241 SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) 1242 1243 sg60 = SpaceGroup( 1244 number = 60, 1245 num_sym_equiv = 8, 1246 num_primitive_sym_equiv = 8, 1247 short_name = "Pbcn", 1248 alt_name = "P B C N", 1249 point_group_name = "PGmmm", 1250 crystal_system = "ORTHORHOMBIC", 1251 pdb_name = "P 21/b 2/c 21/n", 1252 symop_list = [ 1253 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1254 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1255 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1256 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1257 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1258 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1259 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1260 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1261 1262 sg61 = SpaceGroup( 1263 number = 61, 1264 num_sym_equiv = 8, 1265 num_primitive_sym_equiv = 8, 1266 short_name = "Pbca", 1267 alt_name = "P B C A", 1268 point_group_name = "PGmmm", 1269 crystal_system = "ORTHORHOMBIC", 1270 pdb_name = "P 21/b 21/c 21/a", 1271 symop_list = [ 1272 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1273 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1274 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1275 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1276 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1277 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1278 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1279 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1280 1281 sg62 = SpaceGroup( 1282 number = 62, 1283 num_sym_equiv = 8, 1284 num_primitive_sym_equiv = 8, 1285 short_name = "Pnma", 1286 alt_name = "P N M A", 1287 point_group_name = "PGmmm", 1288 crystal_system = "ORTHORHOMBIC", 1289 pdb_name = "P 21/n 21/m 21/a", 1290 symop_list = [ 1291 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1292 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1293 SymOp(Rot_mX_Y_mZ, Tr_0_12_0), 1294 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 1295 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1296 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1297 SymOp(Rot_X_mY_Z, Tr_0_12_0), 1298 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1299 1300 sg63 = SpaceGroup( 1301 number = 63, 1302 num_sym_equiv = 16, 1303 num_primitive_sym_equiv = 8, 1304 short_name = "Cmcm", 1305 alt_name = "C M C M", 1306 point_group_name = "PGmmm", 1307 crystal_system = "ORTHORHOMBIC", 1308 pdb_name = "C 2/m 2/c 21/m", 1309 symop_list = [ 1310 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1311 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1312 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1313 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1314 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1315 SymOp(Rot_X_Y_mZ, Tr_0_0_12), 1316 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1317 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1318 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1319 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1320 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 1321 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1322 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1323 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1324 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1325 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1326 1327 sg64 = SpaceGroup( 1328 number = 64, 1329 num_sym_equiv = 16, 1330 num_primitive_sym_equiv = 8, 1331 short_name = "Cmca", 1332 alt_name = "C M C A", 1333 point_group_name = "PGmmm", 1334 crystal_system = "ORTHORHOMBIC", 1335 pdb_name = "C 2/m 2/c 21/a", 1336 symop_list = [ 1337 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1338 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 1339 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1340 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1341 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1342 SymOp(Rot_X_Y_mZ, Tr_0_12_12), 1343 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1344 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1345 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1346 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1347 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 1348 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1349 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1350 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1351 SymOp(Rot_X_mY_Z, Tr_12_0_12), 1352 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1353 1354 sg65 = SpaceGroup( 1355 number = 65, 1356 num_sym_equiv = 16, 1357 num_primitive_sym_equiv = 8, 1358 short_name = "Cmmm", 1359 alt_name = "C M M M", 1360 point_group_name = "PGmmm", 1361 crystal_system = "ORTHORHOMBIC", 1362 pdb_name = "C 2/m 2/m 2/m", 1363 symop_list = [ 1364 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1365 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1366 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1367 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1368 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1369 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1370 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1371 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1372 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1373 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1374 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1375 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1376 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1377 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1378 SymOp(Rot_X_mY_Z, Tr_12_12_0), 1379 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1380 1381 sg66 = SpaceGroup( 1382 number = 66, 1383 num_sym_equiv = 16, 1384 num_primitive_sym_equiv = 8, 1385 short_name = "Cccm", 1386 alt_name = "C C C M", 1387 point_group_name = "PGmmm", 1388 crystal_system = "ORTHORHOMBIC", 1389 pdb_name = "C 2/c 2/c 2/m", 1390 symop_list = [ 1391 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1392 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1393 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1394 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 1395 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1396 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1397 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1398 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 1399 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1400 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1401 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 1402 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 1403 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1404 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1405 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1406 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1407 1408 sg67 = SpaceGroup( 1409 number = 67, 1410 num_sym_equiv = 16, 1411 num_primitive_sym_equiv = 8, 1412 short_name = "Cmma", 1413 alt_name = "C M M A", 1414 point_group_name = "PGmmm", 1415 crystal_system = "ORTHORHOMBIC", 1416 pdb_name = "C 2/m 2/m 2/a", 1417 symop_list = [ 1418 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1419 SymOp(Rot_mX_mY_Z, Tr_0_12_0), 1420 SymOp(Rot_mX_Y_mZ, Tr_0_12_0), 1421 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1422 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1423 SymOp(Rot_X_Y_mZ, Tr_0_12_0), 1424 SymOp(Rot_X_mY_Z, Tr_0_12_0), 1425 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1426 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1427 SymOp(Rot_mX_mY_Z, Tr_12_0_0), 1428 SymOp(Rot_mX_Y_mZ, Tr_12_0_0), 1429 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1430 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1431 SymOp(Rot_X_Y_mZ, Tr_12_0_0), 1432 SymOp(Rot_X_mY_Z, Tr_12_0_0), 1433 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1434 1435 sg68 = SpaceGroup( 1436 number = 68, 1437 num_sym_equiv = 16, 1438 num_primitive_sym_equiv = 8, 1439 short_name = "Ccca", 1440 alt_name = "C C C A", 1441 point_group_name = "PGmmm", 1442 crystal_system = "ORTHORHOMBIC", 1443 pdb_name = "C 2/c 2/c 2/a", 1444 symop_list = [ 1445 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1446 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1447 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1448 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1449 SymOp(Rot_mX_mY_mZ, Tr_0_12_12), 1450 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1451 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1452 SymOp(Rot_mX_Y_Z, Tr_12_0_12), 1453 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1454 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1455 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1456 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1457 SymOp(Rot_mX_mY_mZ, Tr_12_0_12), 1458 SymOp(Rot_X_Y_mZ, Tr_0_12_12), 1459 SymOp(Rot_X_mY_Z, Tr_12_0_12), 1460 SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) 1461 1462 sg69 = SpaceGroup( 1463 number = 69, 1464 num_sym_equiv = 32, 1465 num_primitive_sym_equiv = 8, 1466 short_name = "Fmmm", 1467 alt_name = "F M M M", 1468 point_group_name = "PGmmm", 1469 crystal_system = "ORTHORHOMBIC", 1470 pdb_name = "F 2/m 2/m 2/m", 1471 symop_list = [ 1472 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1473 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1474 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1475 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1476 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1477 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1478 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1479 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1480 SymOp(Rot_X_Y_Z, Tr_0_12_12), 1481 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 1482 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1483 SymOp(Rot_X_mY_mZ, Tr_0_12_12), 1484 SymOp(Rot_mX_mY_mZ, Tr_0_12_12), 1485 SymOp(Rot_X_Y_mZ, Tr_0_12_12), 1486 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1487 SymOp(Rot_mX_Y_Z, Tr_0_12_12), 1488 SymOp(Rot_X_Y_Z, Tr_12_0_12), 1489 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1490 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 1491 SymOp(Rot_X_mY_mZ, Tr_12_0_12), 1492 SymOp(Rot_mX_mY_mZ, Tr_12_0_12), 1493 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1494 SymOp(Rot_X_mY_Z, Tr_12_0_12), 1495 SymOp(Rot_mX_Y_Z, Tr_12_0_12), 1496 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1497 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1498 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1499 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1500 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1501 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1502 SymOp(Rot_X_mY_Z, Tr_12_12_0), 1503 SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) 1504 1505 sg70 = SpaceGroup( 1506 number = 70, 1507 num_sym_equiv = 32, 1508 num_primitive_sym_equiv = 8, 1509 short_name = "Fddd", 1510 alt_name = "F D D D", 1511 point_group_name = "PGmmm", 1512 crystal_system = "ORTHORHOMBIC", 1513 pdb_name = "F 2/d 2/d 2/d", 1514 symop_list = [ 1515 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1516 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1517 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1518 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1519 SymOp(Rot_mX_mY_mZ, Tr_14_14_14), 1520 SymOp(Rot_X_Y_mZ, Tr_14_14_14), 1521 SymOp(Rot_X_mY_Z, Tr_14_14_14), 1522 SymOp(Rot_mX_Y_Z, Tr_14_14_14), 1523 SymOp(Rot_X_Y_Z, Tr_0_12_12), 1524 SymOp(Rot_mX_mY_Z, Tr_0_12_12), 1525 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1526 SymOp(Rot_X_mY_mZ, Tr_0_12_12), 1527 SymOp(Rot_mX_mY_mZ, Tr_14_34_34), 1528 SymOp(Rot_X_Y_mZ, Tr_14_34_34), 1529 SymOp(Rot_X_mY_Z, Tr_14_34_34), 1530 SymOp(Rot_mX_Y_Z, Tr_14_34_34), 1531 SymOp(Rot_X_Y_Z, Tr_12_0_12), 1532 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1533 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 1534 SymOp(Rot_X_mY_mZ, Tr_12_0_12), 1535 SymOp(Rot_mX_mY_mZ, Tr_34_14_34), 1536 SymOp(Rot_X_Y_mZ, Tr_34_14_34), 1537 SymOp(Rot_X_mY_Z, Tr_34_14_34), 1538 SymOp(Rot_mX_Y_Z, Tr_34_14_34), 1539 SymOp(Rot_X_Y_Z, Tr_12_12_0), 1540 SymOp(Rot_mX_mY_Z, Tr_12_12_0), 1541 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1542 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1543 SymOp(Rot_mX_mY_mZ, Tr_34_34_14), 1544 SymOp(Rot_X_Y_mZ, Tr_34_34_14), 1545 SymOp(Rot_X_mY_Z, Tr_34_34_14), 1546 SymOp(Rot_mX_Y_Z, Tr_34_34_14)]) 1547 1548 sg71 = SpaceGroup( 1549 number = 71, 1550 num_sym_equiv = 16, 1551 num_primitive_sym_equiv = 8, 1552 short_name = "Immm", 1553 alt_name = "I M M M", 1554 point_group_name = "PGmmm", 1555 crystal_system = "ORTHORHOMBIC", 1556 pdb_name = "I 2/m 2/m 2/m", 1557 symop_list = [ 1558 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1559 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1560 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1561 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1562 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1563 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1564 SymOp(Rot_X_mY_Z, Tr_0_0_0), 1565 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1566 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1567 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1568 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 1569 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 1570 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1571 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1572 SymOp(Rot_X_mY_Z, Tr_12_12_12), 1573 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1574 1575 sg72 = SpaceGroup( 1576 number = 72, 1577 num_sym_equiv = 16, 1578 num_primitive_sym_equiv = 8, 1579 short_name = "Ibam", 1580 alt_name = "I B A M", 1581 point_group_name = "PGmmm", 1582 crystal_system = "ORTHORHOMBIC", 1583 pdb_name = "I 2/b 2/a 2/m", 1584 symop_list = [ 1585 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1586 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1587 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1588 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1589 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1590 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1591 SymOp(Rot_X_mY_Z, Tr_12_12_0), 1592 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 1593 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1594 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1595 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 1596 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 1597 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1598 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1599 SymOp(Rot_X_mY_Z, Tr_0_0_12), 1600 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 1601 1602 sg73 = SpaceGroup( 1603 number = 73, 1604 num_sym_equiv = 16, 1605 num_primitive_sym_equiv = 8, 1606 short_name = "Ibca", 1607 alt_name = "I B C A", 1608 point_group_name = "PGmmm", 1609 crystal_system = "ORTHORHOMBIC", 1610 pdb_name = "I 21/b 21/c 21/a", 1611 symop_list = [ 1612 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1613 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1614 SymOp(Rot_mX_Y_mZ, Tr_0_12_12), 1615 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1616 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1617 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1618 SymOp(Rot_X_mY_Z, Tr_0_12_12), 1619 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 1620 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1621 SymOp(Rot_mX_mY_Z, Tr_0_12_0), 1622 SymOp(Rot_mX_Y_mZ, Tr_12_0_0), 1623 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 1624 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1625 SymOp(Rot_X_Y_mZ, Tr_0_12_0), 1626 SymOp(Rot_X_mY_Z, Tr_12_0_0), 1627 SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) 1628 1629 sg74 = SpaceGroup( 1630 number = 74, 1631 num_sym_equiv = 16, 1632 num_primitive_sym_equiv = 8, 1633 short_name = "Imma", 1634 alt_name = "I M M A", 1635 point_group_name = "PGmmm", 1636 crystal_system = "ORTHORHOMBIC", 1637 pdb_name = "I 21/m 21/m 21/a", 1638 symop_list = [ 1639 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1640 SymOp(Rot_mX_mY_Z, Tr_0_12_0), 1641 SymOp(Rot_mX_Y_mZ, Tr_0_12_0), 1642 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1643 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1644 SymOp(Rot_X_Y_mZ, Tr_0_12_0), 1645 SymOp(Rot_X_mY_Z, Tr_0_12_0), 1646 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 1647 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1648 SymOp(Rot_mX_mY_Z, Tr_12_0_12), 1649 SymOp(Rot_mX_Y_mZ, Tr_12_0_12), 1650 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 1651 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1652 SymOp(Rot_X_Y_mZ, Tr_12_0_12), 1653 SymOp(Rot_X_mY_Z, Tr_12_0_12), 1654 SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) 1655 1656 sg75 = SpaceGroup( 1657 number = 75, 1658 num_sym_equiv = 4, 1659 num_primitive_sym_equiv = 4, 1660 short_name = "P4", 1661 alt_name = "P 4", 1662 point_group_name = "PG4", 1663 crystal_system = "TETRAGONAL", 1664 pdb_name = "P 4", 1665 symop_list = [ 1666 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1667 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1668 SymOp(Rot_mY_X_Z, Tr_0_0_0), 1669 SymOp(Rot_Y_mX_Z, Tr_0_0_0)]) 1670 1671 sg76 = SpaceGroup( 1672 number = 76, 1673 num_sym_equiv = 4, 1674 num_primitive_sym_equiv = 4, 1675 short_name = "P41", 1676 alt_name = "P 41", 1677 point_group_name = "PG4", 1678 crystal_system = "TETRAGONAL", 1679 pdb_name = "P 41", 1680 symop_list = [ 1681 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1682 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1683 SymOp(Rot_mY_X_Z, Tr_0_0_14), 1684 SymOp(Rot_Y_mX_Z, Tr_0_0_34)]) 1685 1686 sg77 = SpaceGroup( 1687 number = 77, 1688 num_sym_equiv = 4, 1689 num_primitive_sym_equiv = 4, 1690 short_name = "P42", 1691 alt_name = "P 42", 1692 point_group_name = "PG4", 1693 crystal_system = "TETRAGONAL", 1694 pdb_name = "P 42", 1695 symop_list = [ 1696 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1697 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1698 SymOp(Rot_mY_X_Z, Tr_0_0_12), 1699 SymOp(Rot_Y_mX_Z, Tr_0_0_12)]) 1700 1701 sg78 = SpaceGroup( 1702 number = 78, 1703 num_sym_equiv = 4, 1704 num_primitive_sym_equiv = 4, 1705 short_name = "P43", 1706 alt_name = "P 43", 1707 point_group_name = "PG4", 1708 crystal_system = "TETRAGONAL", 1709 pdb_name = "P 43", 1710 symop_list = [ 1711 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1712 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1713 SymOp(Rot_mY_X_Z, Tr_0_0_34), 1714 SymOp(Rot_Y_mX_Z, Tr_0_0_14)]) 1715 1716 sg79 = SpaceGroup( 1717 number = 79, 1718 num_sym_equiv = 8, 1719 num_primitive_sym_equiv = 4, 1720 short_name = "I4", 1721 alt_name = "I 4", 1722 point_group_name = "PG4", 1723 crystal_system = "TETRAGONAL", 1724 pdb_name = "I 4", 1725 symop_list = [ 1726 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1727 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1728 SymOp(Rot_mY_X_Z, Tr_0_0_0), 1729 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 1730 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1731 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1732 SymOp(Rot_mY_X_Z, Tr_12_12_12), 1733 SymOp(Rot_Y_mX_Z, Tr_12_12_12)]) 1734 1735 sg80 = SpaceGroup( 1736 number = 80, 1737 num_sym_equiv = 8, 1738 num_primitive_sym_equiv = 4, 1739 short_name = "I41", 1740 alt_name = "I 41", 1741 point_group_name = "PG4", 1742 crystal_system = "TETRAGONAL", 1743 pdb_name = "I 41", 1744 symop_list = [ 1745 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1746 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1747 SymOp(Rot_mY_X_Z, Tr_0_12_14), 1748 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 1749 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1750 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1751 SymOp(Rot_mY_X_Z, Tr_12_0_34), 1752 SymOp(Rot_Y_mX_Z, Tr_0_12_14)]) 1753 1754 sg81 = SpaceGroup( 1755 number = 81, 1756 num_sym_equiv = 4, 1757 num_primitive_sym_equiv = 4, 1758 short_name = "P-4", 1759 alt_name = "P -4", 1760 point_group_name = "PG4bar", 1761 crystal_system = "TETRAGONAL", 1762 pdb_name = "P -4", 1763 symop_list = [ 1764 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1765 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1766 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1767 SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) 1768 1769 sg82 = SpaceGroup( 1770 number = 82, 1771 num_sym_equiv = 8, 1772 num_primitive_sym_equiv = 4, 1773 short_name = "I-4", 1774 alt_name = "I -4", 1775 point_group_name = "PG4bar", 1776 crystal_system = "TETRAGONAL", 1777 pdb_name = "I -4", 1778 symop_list = [ 1779 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1780 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1781 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1782 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 1783 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1784 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1785 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 1786 SymOp(Rot_mY_X_mZ, Tr_12_12_12)]) 1787 1788 sg83 = SpaceGroup( 1789 number = 83, 1790 num_sym_equiv = 8, 1791 num_primitive_sym_equiv = 8, 1792 short_name = "P4/m", 1793 alt_name = "P 4/M", 1794 point_group_name = "PG4/m", 1795 crystal_system = "TETRAGONAL", 1796 pdb_name = "P 4/m", 1797 symop_list = [ 1798 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1799 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1800 SymOp(Rot_mY_X_Z, Tr_0_0_0), 1801 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 1802 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1803 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1804 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1805 SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) 1806 1807 sg84 = SpaceGroup( 1808 number = 84, 1809 num_sym_equiv = 8, 1810 num_primitive_sym_equiv = 8, 1811 short_name = "P42/m", 1812 alt_name = "P 42/M", 1813 point_group_name = "PG4/m", 1814 crystal_system = "TETRAGONAL", 1815 pdb_name = "P 42/m", 1816 symop_list = [ 1817 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1818 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1819 SymOp(Rot_mY_X_Z, Tr_0_0_12), 1820 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 1821 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1822 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1823 SymOp(Rot_Y_mX_mZ, Tr_0_0_12), 1824 SymOp(Rot_mY_X_mZ, Tr_0_0_12)]) 1825 1826 sg85 = SpaceGroup( 1827 number = 85, 1828 num_sym_equiv = 8, 1829 num_primitive_sym_equiv = 8, 1830 short_name = "P4/n", 1831 alt_name = "P 4/N", 1832 point_group_name = "PG4/m", 1833 crystal_system = "TETRAGONAL", 1834 pdb_name = "P 4/n", 1835 symop_list = [ 1836 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1837 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1838 SymOp(Rot_mY_X_Z, Tr_12_12_0), 1839 SymOp(Rot_Y_mX_Z, Tr_12_12_0), 1840 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 1841 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 1842 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1843 SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) 1844 1845 sg86 = SpaceGroup( 1846 number = 86, 1847 num_sym_equiv = 8, 1848 num_primitive_sym_equiv = 8, 1849 short_name = "P42/n", 1850 alt_name = "P 42/N", 1851 point_group_name = "PG4/m", 1852 crystal_system = "TETRAGONAL", 1853 pdb_name = "P 42/n", 1854 symop_list = [ 1855 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1856 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1857 SymOp(Rot_mY_X_Z, Tr_12_12_12), 1858 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 1859 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1860 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1861 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1862 SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) 1863 1864 sg87 = SpaceGroup( 1865 number = 87, 1866 num_sym_equiv = 16, 1867 num_primitive_sym_equiv = 8, 1868 short_name = "I4/m", 1869 alt_name = "I 4/M", 1870 point_group_name = "PG4/m", 1871 crystal_system = "TETRAGONAL", 1872 pdb_name = "I 4/m", 1873 symop_list = [ 1874 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1875 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1876 SymOp(Rot_mY_X_Z, Tr_0_0_0), 1877 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 1878 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 1879 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 1880 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1881 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 1882 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1883 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1884 SymOp(Rot_mY_X_Z, Tr_12_12_12), 1885 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 1886 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 1887 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 1888 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 1889 SymOp(Rot_mY_X_mZ, Tr_12_12_12)]) 1890 1891 sg88 = SpaceGroup( 1892 number = 88, 1893 num_sym_equiv = 16, 1894 num_primitive_sym_equiv = 8, 1895 short_name = "I41/a", 1896 alt_name = "I 41/A", 1897 point_group_name = "PG4/m", 1898 crystal_system = "TETRAGONAL", 1899 pdb_name = "I 41/a", 1900 symop_list = [ 1901 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1902 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 1903 SymOp(Rot_mY_X_Z, Tr_0_12_14), 1904 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 1905 SymOp(Rot_mX_mY_mZ, Tr_0_12_14), 1906 SymOp(Rot_X_Y_mZ, Tr_12_0_34), 1907 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 1908 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 1909 SymOp(Rot_X_Y_Z, Tr_12_12_12), 1910 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1911 SymOp(Rot_mY_X_Z, Tr_12_0_34), 1912 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 1913 SymOp(Rot_mX_mY_mZ, Tr_12_0_34), 1914 SymOp(Rot_X_Y_mZ, Tr_0_12_14), 1915 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 1916 SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) 1917 1918 sg89 = SpaceGroup( 1919 number = 89, 1920 num_sym_equiv = 8, 1921 num_primitive_sym_equiv = 8, 1922 short_name = "P422", 1923 alt_name = "P 4 2 2", 1924 point_group_name = "PG422", 1925 crystal_system = "TETRAGONAL", 1926 pdb_name = "P 4 2 2", 1927 symop_list = [ 1928 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1929 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1930 SymOp(Rot_mY_X_Z, Tr_0_0_0), 1931 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 1932 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1933 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 1934 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 1935 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) 1936 1937 sg90 = SpaceGroup( 1938 number = 90, 1939 num_sym_equiv = 8, 1940 num_primitive_sym_equiv = 8, 1941 short_name = "P4212", 1942 alt_name = "P 4 21 2", 1943 point_group_name = "PG422", 1944 crystal_system = "TETRAGONAL", 1945 pdb_name = "P 4 21 2", 1946 symop_list = [ 1947 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1948 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 1949 SymOp(Rot_mY_X_Z, Tr_12_12_0), 1950 SymOp(Rot_Y_mX_Z, Tr_12_12_0), 1951 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 1952 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 1953 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 1954 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) 1955 1956 sg91 = SpaceGroup( 1957 number = 91, 1958 num_sym_equiv = 8, 1959 num_primitive_sym_equiv = 8, 1960 short_name = "P4122", 1961 alt_name = "P 41 2 2", 1962 point_group_name = "PG422", 1963 crystal_system = "TETRAGONAL", 1964 pdb_name = "P 41 2 2", 1965 symop_list = [ 1966 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1967 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1968 SymOp(Rot_mY_X_Z, Tr_0_0_14), 1969 SymOp(Rot_Y_mX_Z, Tr_0_0_34), 1970 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 1971 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 1972 SymOp(Rot_Y_X_mZ, Tr_0_0_34), 1973 SymOp(Rot_mY_mX_mZ, Tr_0_0_14)]) 1974 1975 sg92 = SpaceGroup( 1976 number = 92, 1977 num_sym_equiv = 8, 1978 num_primitive_sym_equiv = 8, 1979 short_name = "P41212", 1980 alt_name = "P 41 21 2", 1981 point_group_name = "PG422", 1982 crystal_system = "TETRAGONAL", 1983 pdb_name = "P 41 21 2", 1984 symop_list = [ 1985 SymOp(Rot_X_Y_Z, Tr_0_0_0), 1986 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 1987 SymOp(Rot_mY_X_Z, Tr_12_12_14), 1988 SymOp(Rot_Y_mX_Z, Tr_12_12_34), 1989 SymOp(Rot_mX_Y_mZ, Tr_12_12_14), 1990 SymOp(Rot_X_mY_mZ, Tr_12_12_34), 1991 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 1992 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) 1993 1994 sg93 = SpaceGroup( 1995 number = 93, 1996 num_sym_equiv = 8, 1997 num_primitive_sym_equiv = 8, 1998 short_name = "P4222", 1999 alt_name = "P 42 2 2", 2000 point_group_name = "PG422", 2001 crystal_system = "TETRAGONAL", 2002 pdb_name = "P 42 2 2", 2003 symop_list = [ 2004 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2005 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2006 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2007 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2008 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2009 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2010 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2011 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) 2012 2013 sg94 = SpaceGroup( 2014 number = 94, 2015 num_sym_equiv = 8, 2016 num_primitive_sym_equiv = 8, 2017 short_name = "P42212", 2018 alt_name = "P 42 21 2", 2019 point_group_name = "PG422", 2020 crystal_system = "TETRAGONAL", 2021 pdb_name = "P 42 21 2", 2022 symop_list = [ 2023 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2024 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2025 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2026 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2027 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2028 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2029 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2030 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) 2031 2032 sg95 = SpaceGroup( 2033 number = 95, 2034 num_sym_equiv = 8, 2035 num_primitive_sym_equiv = 8, 2036 short_name = "P4322", 2037 alt_name = "P 43 2 2", 2038 point_group_name = "PG422", 2039 crystal_system = "TETRAGONAL", 2040 pdb_name = "P 43 2 2", 2041 symop_list = [ 2042 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2043 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 2044 SymOp(Rot_mY_X_Z, Tr_0_0_34), 2045 SymOp(Rot_Y_mX_Z, Tr_0_0_14), 2046 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2047 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 2048 SymOp(Rot_Y_X_mZ, Tr_0_0_14), 2049 SymOp(Rot_mY_mX_mZ, Tr_0_0_34)]) 2050 2051 sg96 = SpaceGroup( 2052 number = 96, 2053 num_sym_equiv = 8, 2054 num_primitive_sym_equiv = 8, 2055 short_name = "P43212", 2056 alt_name = "P 43 21 2", 2057 point_group_name = "PG422", 2058 crystal_system = "TETRAGONAL", 2059 pdb_name = "P 43 21 2", 2060 symop_list = [ 2061 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2062 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 2063 SymOp(Rot_mY_X_Z, Tr_12_12_34), 2064 SymOp(Rot_Y_mX_Z, Tr_12_12_14), 2065 SymOp(Rot_mX_Y_mZ, Tr_12_12_34), 2066 SymOp(Rot_X_mY_mZ, Tr_12_12_14), 2067 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2068 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) 2069 2070 sg97 = SpaceGroup( 2071 number = 97, 2072 num_sym_equiv = 16, 2073 num_primitive_sym_equiv = 8, 2074 short_name = "I422", 2075 alt_name = "I 4 2 2", 2076 point_group_name = "PG422", 2077 crystal_system = "TETRAGONAL", 2078 pdb_name = "I 4 2 2", 2079 symop_list = [ 2080 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2081 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2082 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2083 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2084 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2085 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2086 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2087 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2088 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2089 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2090 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2091 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2092 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2093 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2094 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2095 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) 2096 2097 sg98 = SpaceGroup( 2098 number = 98, 2099 num_sym_equiv = 16, 2100 num_primitive_sym_equiv = 8, 2101 short_name = "I4122", 2102 alt_name = "I 41 2 2", 2103 point_group_name = "PG422", 2104 crystal_system = "TETRAGONAL", 2105 pdb_name = "I 41 2 2", 2106 symop_list = [ 2107 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2108 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2109 SymOp(Rot_mY_X_Z, Tr_0_12_14), 2110 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 2111 SymOp(Rot_mX_Y_mZ, Tr_12_0_34), 2112 SymOp(Rot_X_mY_mZ, Tr_0_12_14), 2113 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2114 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2115 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2116 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2117 SymOp(Rot_mY_X_Z, Tr_12_0_34), 2118 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 2119 SymOp(Rot_mX_Y_mZ, Tr_0_12_14), 2120 SymOp(Rot_X_mY_mZ, Tr_12_0_34), 2121 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2122 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) 2123 2124 sg99 = SpaceGroup( 2125 number = 99, 2126 num_sym_equiv = 8, 2127 num_primitive_sym_equiv = 8, 2128 short_name = "P4mm", 2129 alt_name = "P 4 M M", 2130 point_group_name = "PG4mm", 2131 crystal_system = "TETRAGONAL", 2132 pdb_name = "P 4 m m", 2133 symop_list = [ 2134 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2135 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2136 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2137 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2138 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2139 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2140 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2141 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2142 2143 sg100 = SpaceGroup( 2144 number = 100, 2145 num_sym_equiv = 8, 2146 num_primitive_sym_equiv = 8, 2147 short_name = "P4bm", 2148 alt_name = "P 4 B M", 2149 point_group_name = "PG4mm", 2150 crystal_system = "TETRAGONAL", 2151 pdb_name = "P 4 b m", 2152 symop_list = [ 2153 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2154 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2155 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2156 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2157 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2158 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2159 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2160 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2161 2162 sg101 = SpaceGroup( 2163 number = 101, 2164 num_sym_equiv = 8, 2165 num_primitive_sym_equiv = 8, 2166 short_name = "P42cm", 2167 alt_name = "P 42 C M", 2168 point_group_name = "PG4mm", 2169 crystal_system = "TETRAGONAL", 2170 pdb_name = "P 42 c m", 2171 symop_list = [ 2172 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2173 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2174 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2175 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2176 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2177 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2178 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2179 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2180 2181 sg102 = SpaceGroup( 2182 number = 102, 2183 num_sym_equiv = 8, 2184 num_primitive_sym_equiv = 8, 2185 short_name = "P42nm", 2186 alt_name = "P 42 N M", 2187 point_group_name = "PG4mm", 2188 crystal_system = "TETRAGONAL", 2189 pdb_name = "P 42 n m", 2190 symop_list = [ 2191 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2192 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2193 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2194 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2195 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2196 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2197 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2198 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2199 2200 sg103 = SpaceGroup( 2201 number = 103, 2202 num_sym_equiv = 8, 2203 num_primitive_sym_equiv = 8, 2204 short_name = "P4cc", 2205 alt_name = "P 4 C C", 2206 point_group_name = "PG4mm", 2207 crystal_system = "TETRAGONAL", 2208 pdb_name = "P 4 c c", 2209 symop_list = [ 2210 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2211 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2212 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2213 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2214 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2215 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2216 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2217 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2218 2219 sg104 = SpaceGroup( 2220 number = 104, 2221 num_sym_equiv = 8, 2222 num_primitive_sym_equiv = 8, 2223 short_name = "P4nc", 2224 alt_name = "P 4 N C", 2225 point_group_name = "PG4mm", 2226 crystal_system = "TETRAGONAL", 2227 pdb_name = "P 4 n c", 2228 symop_list = [ 2229 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2230 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2231 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2232 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2233 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2234 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2235 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2236 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2237 2238 sg105 = SpaceGroup( 2239 number = 105, 2240 num_sym_equiv = 8, 2241 num_primitive_sym_equiv = 8, 2242 short_name = "P42mc", 2243 alt_name = "P 42 M C", 2244 point_group_name = "PG4mm", 2245 crystal_system = "TETRAGONAL", 2246 pdb_name = "P 42 m c", 2247 symop_list = [ 2248 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2249 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2250 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2251 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2252 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2253 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2254 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2255 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2256 2257 sg106 = SpaceGroup( 2258 number = 106, 2259 num_sym_equiv = 8, 2260 num_primitive_sym_equiv = 8, 2261 short_name = "P42bc", 2262 alt_name = "P 42 B C", 2263 point_group_name = "PG4mm", 2264 crystal_system = "TETRAGONAL", 2265 pdb_name = "P 42 b c", 2266 symop_list = [ 2267 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2268 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2269 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2270 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2271 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2272 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2273 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2274 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2275 2276 sg107 = SpaceGroup( 2277 number = 107, 2278 num_sym_equiv = 16, 2279 num_primitive_sym_equiv = 8, 2280 short_name = "I4mm", 2281 alt_name = "I 4 M M", 2282 point_group_name = "PG4mm", 2283 crystal_system = "TETRAGONAL", 2284 pdb_name = "I 4 m m", 2285 symop_list = [ 2286 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2287 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2288 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2289 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2290 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2291 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2292 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2293 SymOp(Rot_Y_X_Z, Tr_0_0_0), 2294 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2295 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2296 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2297 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2298 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2299 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2300 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2301 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2302 2303 sg108 = SpaceGroup( 2304 number = 108, 2305 num_sym_equiv = 16, 2306 num_primitive_sym_equiv = 8, 2307 short_name = "I4cm", 2308 alt_name = "I 4 C M", 2309 point_group_name = "PG4mm", 2310 crystal_system = "TETRAGONAL", 2311 pdb_name = "I 4 c m", 2312 symop_list = [ 2313 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2314 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2315 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2316 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2317 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2318 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2319 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2320 SymOp(Rot_Y_X_Z, Tr_0_0_12), 2321 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2322 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2323 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2324 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2325 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2326 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2327 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2328 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2329 2330 sg109 = SpaceGroup( 2331 number = 109, 2332 num_sym_equiv = 16, 2333 num_primitive_sym_equiv = 8, 2334 short_name = "I41md", 2335 alt_name = "I 41 M D", 2336 point_group_name = "PG4mm", 2337 crystal_system = "TETRAGONAL", 2338 pdb_name = "I 41 m d", 2339 symop_list = [ 2340 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2341 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2342 SymOp(Rot_mY_X_Z, Tr_0_12_14), 2343 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 2344 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2345 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2346 SymOp(Rot_mY_mX_Z, Tr_0_12_14), 2347 SymOp(Rot_Y_X_Z, Tr_12_0_34), 2348 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2349 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2350 SymOp(Rot_mY_X_Z, Tr_12_0_34), 2351 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 2352 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2353 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2354 SymOp(Rot_mY_mX_Z, Tr_12_0_34), 2355 SymOp(Rot_Y_X_Z, Tr_0_12_14)]) 2356 2357 sg110 = SpaceGroup( 2358 number = 110, 2359 num_sym_equiv = 16, 2360 num_primitive_sym_equiv = 8, 2361 short_name = "I41cd", 2362 alt_name = "I 41 C D", 2363 point_group_name = "PG4mm", 2364 crystal_system = "TETRAGONAL", 2365 pdb_name = "I 41 c d", 2366 symop_list = [ 2367 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2368 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2369 SymOp(Rot_mY_X_Z, Tr_0_12_14), 2370 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 2371 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2372 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2373 SymOp(Rot_mY_mX_Z, Tr_0_12_34), 2374 SymOp(Rot_Y_X_Z, Tr_12_0_14), 2375 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2376 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2377 SymOp(Rot_mY_X_Z, Tr_12_0_34), 2378 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 2379 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2380 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2381 SymOp(Rot_mY_mX_Z, Tr_12_0_14), 2382 SymOp(Rot_Y_X_Z, Tr_0_12_34)]) 2383 2384 sg111 = SpaceGroup( 2385 number = 111, 2386 num_sym_equiv = 8, 2387 num_primitive_sym_equiv = 8, 2388 short_name = "P-42m", 2389 alt_name = "P -4 2 M", 2390 point_group_name = "PG4bar2m", 2391 crystal_system = "TETRAGONAL", 2392 pdb_name = "P -4 2 m", 2393 symop_list = [ 2394 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2395 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2396 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2397 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2398 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2399 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2400 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2401 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2402 2403 sg112 = SpaceGroup( 2404 number = 112, 2405 num_sym_equiv = 8, 2406 num_primitive_sym_equiv = 8, 2407 short_name = "P-42c", 2408 alt_name = "P -4 2 C", 2409 point_group_name = "PG4bar2m", 2410 crystal_system = "TETRAGONAL", 2411 pdb_name = "P -4 2 c", 2412 symop_list = [ 2413 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2414 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2415 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2416 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2417 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 2418 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 2419 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2420 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2421 2422 sg113 = SpaceGroup( 2423 number = 113, 2424 num_sym_equiv = 8, 2425 num_primitive_sym_equiv = 8, 2426 short_name = "P-421m", 2427 alt_name = "P -4 21 M", 2428 point_group_name = "PG4bar2m", 2429 crystal_system = "TETRAGONAL", 2430 pdb_name = "P -4 21 m", 2431 symop_list = [ 2432 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2433 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2434 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2435 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2436 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 2437 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 2438 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2439 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2440 2441 sg114 = SpaceGroup( 2442 number = 114, 2443 num_sym_equiv = 8, 2444 num_primitive_sym_equiv = 8, 2445 short_name = "P-421c", 2446 alt_name = "P -4 21 C", 2447 point_group_name = "PG4bar2m", 2448 crystal_system = "TETRAGONAL", 2449 pdb_name = "P -4 21 c", 2450 symop_list = [ 2451 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2452 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2453 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2454 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2455 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2456 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2457 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2458 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2459 2460 sg115 = SpaceGroup( 2461 number = 115, 2462 num_sym_equiv = 8, 2463 num_primitive_sym_equiv = 8, 2464 short_name = "P-4m2", 2465 alt_name = "P -4 M 2", 2466 point_group_name = "PG4barm2", 2467 crystal_system = "TETRAGONAL", 2468 pdb_name = "P -4 m 2", 2469 symop_list = [ 2470 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2471 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2472 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2473 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2474 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2475 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2476 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2477 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) 2478 2479 sg116 = SpaceGroup( 2480 number = 116, 2481 num_sym_equiv = 8, 2482 num_primitive_sym_equiv = 8, 2483 short_name = "P-4c2", 2484 alt_name = "P -4 C 2", 2485 point_group_name = "PG4barm2", 2486 crystal_system = "TETRAGONAL", 2487 pdb_name = "P -4 c 2", 2488 symop_list = [ 2489 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2490 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2491 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2492 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2493 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2494 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2495 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2496 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) 2497 2498 sg117 = SpaceGroup( 2499 number = 117, 2500 num_sym_equiv = 8, 2501 num_primitive_sym_equiv = 8, 2502 short_name = "P-4b2", 2503 alt_name = "P -4 B 2", 2504 point_group_name = "PG4barm2", 2505 crystal_system = "TETRAGONAL", 2506 pdb_name = "P -4 b 2", 2507 symop_list = [ 2508 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2509 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2510 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2511 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2512 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2513 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2514 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 2515 SymOp(Rot_mY_mX_mZ, Tr_12_12_0)]) 2516 2517 sg118 = SpaceGroup( 2518 number = 118, 2519 num_sym_equiv = 8, 2520 num_primitive_sym_equiv = 8, 2521 short_name = "P-4n2", 2522 alt_name = "P -4 N 2", 2523 point_group_name = "PG4barm2", 2524 crystal_system = "TETRAGONAL", 2525 pdb_name = "P -4 n 2", 2526 symop_list = [ 2527 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2528 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2529 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2530 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2531 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2532 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2533 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2534 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) 2535 2536 sg119 = SpaceGroup( 2537 number = 119, 2538 num_sym_equiv = 16, 2539 num_primitive_sym_equiv = 8, 2540 short_name = "I-4m2", 2541 alt_name = "I -4 M 2", 2542 point_group_name = "PG4barm2", 2543 crystal_system = "TETRAGONAL", 2544 pdb_name = "I -4 m 2", 2545 symop_list = [ 2546 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2547 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2548 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2549 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2550 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2551 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2552 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2553 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2554 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2555 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2556 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 2557 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 2558 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2559 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2560 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2561 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) 2562 2563 sg120 = SpaceGroup( 2564 number = 120, 2565 num_sym_equiv = 16, 2566 num_primitive_sym_equiv = 8, 2567 short_name = "I-4c2", 2568 alt_name = "I -4 C 2", 2569 point_group_name = "PG4barm2", 2570 crystal_system = "TETRAGONAL", 2571 pdb_name = "I -4 c 2", 2572 symop_list = [ 2573 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2574 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2575 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2576 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2577 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2578 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2579 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2580 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 2581 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2582 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2583 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 2584 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 2585 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2586 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2587 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 2588 SymOp(Rot_mY_mX_mZ, Tr_12_12_0)]) 2589 2590 sg121 = SpaceGroup( 2591 number = 121, 2592 num_sym_equiv = 16, 2593 num_primitive_sym_equiv = 8, 2594 short_name = "I-42m", 2595 alt_name = "I -4 2 M", 2596 point_group_name = "PG4bar2m", 2597 crystal_system = "TETRAGONAL", 2598 pdb_name = "I -4 2 m", 2599 symop_list = [ 2600 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2601 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2602 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2603 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2604 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2605 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2606 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2607 SymOp(Rot_Y_X_Z, Tr_0_0_0), 2608 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2609 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2610 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 2611 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 2612 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2613 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2614 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2615 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2616 2617 sg122 = SpaceGroup( 2618 number = 122, 2619 num_sym_equiv = 16, 2620 num_primitive_sym_equiv = 8, 2621 short_name = "I-42d", 2622 alt_name = "I -4 2 D", 2623 point_group_name = "PG4bar2m", 2624 crystal_system = "TETRAGONAL", 2625 pdb_name = "I -4 2 d", 2626 symop_list = [ 2627 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2628 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2629 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2630 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2631 SymOp(Rot_mX_Y_mZ, Tr_12_0_34), 2632 SymOp(Rot_X_mY_mZ, Tr_12_0_34), 2633 SymOp(Rot_mY_mX_Z, Tr_12_0_34), 2634 SymOp(Rot_Y_X_Z, Tr_12_0_34), 2635 SymOp(Rot_X_Y_Z, Tr_12_12_12), 2636 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 2637 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 2638 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 2639 SymOp(Rot_mX_Y_mZ, Tr_0_12_14), 2640 SymOp(Rot_X_mY_mZ, Tr_0_12_14), 2641 SymOp(Rot_mY_mX_Z, Tr_0_12_14), 2642 SymOp(Rot_Y_X_Z, Tr_0_12_14)]) 2643 2644 sg123 = SpaceGroup( 2645 number = 123, 2646 num_sym_equiv = 16, 2647 num_primitive_sym_equiv = 16, 2648 short_name = "P4/mmm", 2649 alt_name = "P 4/M M M", 2650 point_group_name = "PG4/mmm", 2651 crystal_system = "TETRAGONAL", 2652 pdb_name = "P 4/m 2/m 2/m", 2653 symop_list = [ 2654 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2655 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2656 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2657 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2658 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2659 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2660 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2661 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2662 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2663 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2664 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2665 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2666 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2667 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2668 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2669 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2670 2671 sg124 = SpaceGroup( 2672 number = 124, 2673 num_sym_equiv = 16, 2674 num_primitive_sym_equiv = 16, 2675 short_name = "P4/mcc", 2676 alt_name = "P 4/M C C", 2677 point_group_name = "PG4/mmm", 2678 crystal_system = "TETRAGONAL", 2679 pdb_name = "P 4/m 2/c 2/c", 2680 symop_list = [ 2681 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2682 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2683 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2684 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2685 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 2686 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 2687 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2688 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 2689 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2690 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2691 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2692 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2693 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2694 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2695 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2696 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2697 2698 sg125 = SpaceGroup( 2699 number = 125, 2700 num_sym_equiv = 16, 2701 num_primitive_sym_equiv = 16, 2702 short_name = "P4/nbm", 2703 alt_name = "P 4/N B M", 2704 point_group_name = "PG4/mmm", 2705 crystal_system = "TETRAGONAL", 2706 pdb_name = "P 4/n 2/b 2/m", 2707 symop_list = [ 2708 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2709 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2710 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2711 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2712 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2713 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2714 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2715 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2716 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 2717 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 2718 SymOp(Rot_Y_mX_mZ, Tr_12_12_0), 2719 SymOp(Rot_mY_X_mZ, Tr_12_12_0), 2720 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2721 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2722 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2723 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2724 2725 sg126 = SpaceGroup( 2726 number = 126, 2727 num_sym_equiv = 16, 2728 num_primitive_sym_equiv = 16, 2729 short_name = "P4/nnc", 2730 alt_name = "P 4/N N C", 2731 point_group_name = "PG4/mmm", 2732 crystal_system = "TETRAGONAL", 2733 pdb_name = "P 4/n 2/n 2/c", 2734 symop_list = [ 2735 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2736 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2737 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2738 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2739 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2740 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2741 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2742 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2743 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 2744 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 2745 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 2746 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 2747 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2748 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2749 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2750 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2751 2752 sg127 = SpaceGroup( 2753 number = 127, 2754 num_sym_equiv = 16, 2755 num_primitive_sym_equiv = 16, 2756 short_name = "P4/mbm", 2757 alt_name = "P 4/M B M", 2758 point_group_name = "PG4/mmm", 2759 crystal_system = "TETRAGONAL", 2760 pdb_name = "P 4/m 21/b 2/m", 2761 symop_list = [ 2762 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2763 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2764 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2765 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2766 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 2767 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 2768 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 2769 SymOp(Rot_mY_mX_mZ, Tr_12_12_0), 2770 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2771 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2772 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2773 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2774 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2775 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2776 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2777 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2778 2779 sg128 = SpaceGroup( 2780 number = 128, 2781 num_sym_equiv = 16, 2782 num_primitive_sym_equiv = 16, 2783 short_name = "P4/mnc", 2784 alt_name = "P 4/M N C", 2785 point_group_name = "PG4/mmm", 2786 crystal_system = "TETRAGONAL", 2787 pdb_name = "P 4/m 21/n 2/c", 2788 symop_list = [ 2789 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2790 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2791 SymOp(Rot_mY_X_Z, Tr_0_0_0), 2792 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 2793 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2794 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2795 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2796 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 2797 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2798 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2799 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2800 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2801 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2802 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2803 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2804 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2805 2806 sg129 = SpaceGroup( 2807 number = 129, 2808 num_sym_equiv = 16, 2809 num_primitive_sym_equiv = 16, 2810 short_name = "P4/nmm", 2811 alt_name = "P 4/N M M", 2812 point_group_name = "PG4/mmm", 2813 crystal_system = "TETRAGONAL", 2814 pdb_name = "P 4/n 21/m 2/m", 2815 symop_list = [ 2816 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2817 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2818 SymOp(Rot_mY_X_Z, Tr_12_12_0), 2819 SymOp(Rot_Y_mX_Z, Tr_12_12_0), 2820 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 2821 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 2822 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2823 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2824 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 2825 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 2826 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2827 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2828 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2829 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2830 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 2831 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 2832 2833 sg130 = SpaceGroup( 2834 number = 130, 2835 num_sym_equiv = 16, 2836 num_primitive_sym_equiv = 16, 2837 short_name = "P4/ncc", 2838 alt_name = "P 4/N C C", 2839 point_group_name = "PG4/mmm", 2840 crystal_system = "TETRAGONAL", 2841 pdb_name = "P 4/n 2/c 2/c", 2842 symop_list = [ 2843 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2844 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2845 SymOp(Rot_mY_X_Z, Tr_12_12_0), 2846 SymOp(Rot_Y_mX_Z, Tr_12_12_0), 2847 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 2848 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 2849 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2850 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 2851 SymOp(Rot_mX_mY_mZ, Tr_12_12_0), 2852 SymOp(Rot_X_Y_mZ, Tr_12_12_0), 2853 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2854 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2855 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2856 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2857 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2858 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2859 2860 sg131 = SpaceGroup( 2861 number = 131, 2862 num_sym_equiv = 16, 2863 num_primitive_sym_equiv = 16, 2864 short_name = "P42/mmc", 2865 alt_name = "P 42/M M C", 2866 point_group_name = "PG4/mmm", 2867 crystal_system = "TETRAGONAL", 2868 pdb_name = "P 42/m 2/m 2/c", 2869 symop_list = [ 2870 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2871 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2872 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2873 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2874 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2875 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2876 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 2877 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 2878 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2879 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2880 SymOp(Rot_Y_mX_mZ, Tr_0_0_12), 2881 SymOp(Rot_mY_X_mZ, Tr_0_0_12), 2882 SymOp(Rot_X_mY_Z, Tr_0_0_0), 2883 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 2884 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2885 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2886 2887 sg132 = SpaceGroup( 2888 number = 132, 2889 num_sym_equiv = 16, 2890 num_primitive_sym_equiv = 16, 2891 short_name = "P42/mcm", 2892 alt_name = "P 42/M C M", 2893 point_group_name = "PG4/mmm", 2894 crystal_system = "TETRAGONAL", 2895 pdb_name = "P 42/m 2/c 2/m", 2896 symop_list = [ 2897 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2898 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2899 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2900 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2901 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 2902 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 2903 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 2904 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 2905 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2906 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2907 SymOp(Rot_Y_mX_mZ, Tr_0_0_12), 2908 SymOp(Rot_mY_X_mZ, Tr_0_0_12), 2909 SymOp(Rot_X_mY_Z, Tr_0_0_12), 2910 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 2911 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2912 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2913 2914 sg133 = SpaceGroup( 2915 number = 133, 2916 num_sym_equiv = 16, 2917 num_primitive_sym_equiv = 16, 2918 short_name = "P42/nbc", 2919 alt_name = "P 42/N B C", 2920 point_group_name = "PG4/mmm", 2921 crystal_system = "TETRAGONAL", 2922 pdb_name = "P 42/n 2/b 2/c", 2923 symop_list = [ 2924 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2925 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2926 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2927 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2928 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 2929 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 2930 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 2931 SymOp(Rot_mY_mX_mZ, Tr_12_12_0), 2932 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 2933 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 2934 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2935 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2936 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2937 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2938 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 2939 SymOp(Rot_Y_X_Z, Tr_0_0_12)]) 2940 2941 sg134 = SpaceGroup( 2942 number = 134, 2943 num_sym_equiv = 16, 2944 num_primitive_sym_equiv = 16, 2945 short_name = "P42/nnm", 2946 alt_name = "P 42/N N M", 2947 point_group_name = "PG4/mmm", 2948 crystal_system = "TETRAGONAL", 2949 pdb_name = "P 42/n 2/n 2/m", 2950 symop_list = [ 2951 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2952 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2953 SymOp(Rot_mY_X_Z, Tr_12_12_12), 2954 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 2955 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 2956 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 2957 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2958 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 2959 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 2960 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 2961 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 2962 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 2963 SymOp(Rot_X_mY_Z, Tr_12_12_12), 2964 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 2965 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 2966 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 2967 2968 sg135 = SpaceGroup( 2969 number = 135, 2970 num_sym_equiv = 16, 2971 num_primitive_sym_equiv = 16, 2972 short_name = "P42/mbc", 2973 alt_name = "P 42/M B C", 2974 point_group_name = "PG4/mmm", 2975 crystal_system = "TETRAGONAL", 2976 pdb_name = "P 42/m 21/b 2/c", 2977 symop_list = [ 2978 SymOp(Rot_X_Y_Z, Tr_0_0_0), 2979 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 2980 SymOp(Rot_mY_X_Z, Tr_0_0_12), 2981 SymOp(Rot_Y_mX_Z, Tr_0_0_12), 2982 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 2983 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 2984 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 2985 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 2986 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 2987 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 2988 SymOp(Rot_Y_mX_mZ, Tr_0_0_12), 2989 SymOp(Rot_mY_X_mZ, Tr_0_0_12), 2990 SymOp(Rot_X_mY_Z, Tr_12_12_0), 2991 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 2992 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 2993 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 2994 2995 sg136 = SpaceGroup( 2996 number = 136, 2997 num_sym_equiv = 16, 2998 num_primitive_sym_equiv = 16, 2999 short_name = "P42/mnm", 3000 alt_name = "P 42/M N M", 3001 point_group_name = "PG4/mmm", 3002 crystal_system = "TETRAGONAL", 3003 pdb_name = "P 42/m 21/n 2/m", 3004 symop_list = [ 3005 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3006 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3007 SymOp(Rot_mY_X_Z, Tr_12_12_12), 3008 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 3009 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 3010 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 3011 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3012 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3013 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3014 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 3015 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 3016 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 3017 SymOp(Rot_X_mY_Z, Tr_12_12_12), 3018 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 3019 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3020 SymOp(Rot_Y_X_Z, Tr_0_0_0)]) 3021 3022 sg137 = SpaceGroup( 3023 number = 137, 3024 num_sym_equiv = 16, 3025 num_primitive_sym_equiv = 16, 3026 short_name = "P42/nmc", 3027 alt_name = "P 42/N M C", 3028 point_group_name = "PG4/mmm", 3029 crystal_system = "TETRAGONAL", 3030 pdb_name = "P 42/n 21/m 2/c", 3031 symop_list = [ 3032 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3033 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3034 SymOp(Rot_mY_X_Z, Tr_12_12_12), 3035 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 3036 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 3037 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 3038 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3039 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3040 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 3041 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 3042 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3043 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3044 SymOp(Rot_X_mY_Z, Tr_0_0_0), 3045 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 3046 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 3047 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 3048 3049 sg138 = SpaceGroup( 3050 number = 138, 3051 num_sym_equiv = 16, 3052 num_primitive_sym_equiv = 16, 3053 short_name = "P42/ncm", 3054 alt_name = "P 42/N C M", 3055 point_group_name = "PG4/mmm", 3056 crystal_system = "TETRAGONAL", 3057 pdb_name = "P 42/n 21/c 2/m", 3058 symop_list = [ 3059 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3060 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3061 SymOp(Rot_mY_X_Z, Tr_12_12_12), 3062 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 3063 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 3064 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 3065 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 3066 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 3067 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 3068 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 3069 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3070 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3071 SymOp(Rot_X_mY_Z, Tr_0_0_12), 3072 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 3073 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 3074 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 3075 3076 sg139 = SpaceGroup( 3077 number = 139, 3078 num_sym_equiv = 32, 3079 num_primitive_sym_equiv = 16, 3080 short_name = "I4/mmm", 3081 alt_name = "I 4/M M M", 3082 point_group_name = "PG4/mmm", 3083 crystal_system = "TETRAGONAL", 3084 pdb_name = "I 4/m 2/m 2/m", 3085 symop_list = [ 3086 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3087 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3088 SymOp(Rot_mY_X_Z, Tr_0_0_0), 3089 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 3090 SymOp(Rot_mX_Y_mZ, Tr_0_0_0), 3091 SymOp(Rot_X_mY_mZ, Tr_0_0_0), 3092 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3093 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3094 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3095 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 3096 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3097 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3098 SymOp(Rot_X_mY_Z, Tr_0_0_0), 3099 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 3100 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3101 SymOp(Rot_Y_X_Z, Tr_0_0_0), 3102 SymOp(Rot_X_Y_Z, Tr_12_12_12), 3103 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 3104 SymOp(Rot_mY_X_Z, Tr_12_12_12), 3105 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 3106 SymOp(Rot_mX_Y_mZ, Tr_12_12_12), 3107 SymOp(Rot_X_mY_mZ, Tr_12_12_12), 3108 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 3109 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 3110 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 3111 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 3112 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 3113 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 3114 SymOp(Rot_X_mY_Z, Tr_12_12_12), 3115 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 3116 SymOp(Rot_mY_mX_Z, Tr_12_12_12), 3117 SymOp(Rot_Y_X_Z, Tr_12_12_12)]) 3118 3119 sg140 = SpaceGroup( 3120 number = 140, 3121 num_sym_equiv = 32, 3122 num_primitive_sym_equiv = 16, 3123 short_name = "I4/mcm", 3124 alt_name = "I 4/M C M", 3125 point_group_name = "PG4/mmm", 3126 crystal_system = "TETRAGONAL", 3127 pdb_name = "I 4/m 2/c 2/m", 3128 symop_list = [ 3129 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3130 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3131 SymOp(Rot_mY_X_Z, Tr_0_0_0), 3132 SymOp(Rot_Y_mX_Z, Tr_0_0_0), 3133 SymOp(Rot_mX_Y_mZ, Tr_0_0_12), 3134 SymOp(Rot_X_mY_mZ, Tr_0_0_12), 3135 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 3136 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 3137 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3138 SymOp(Rot_X_Y_mZ, Tr_0_0_0), 3139 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3140 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3141 SymOp(Rot_X_mY_Z, Tr_0_0_12), 3142 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 3143 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 3144 SymOp(Rot_Y_X_Z, Tr_0_0_12), 3145 SymOp(Rot_X_Y_Z, Tr_12_12_12), 3146 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 3147 SymOp(Rot_mY_X_Z, Tr_12_12_12), 3148 SymOp(Rot_Y_mX_Z, Tr_12_12_12), 3149 SymOp(Rot_mX_Y_mZ, Tr_12_12_0), 3150 SymOp(Rot_X_mY_mZ, Tr_12_12_0), 3151 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 3152 SymOp(Rot_mY_mX_mZ, Tr_12_12_0), 3153 SymOp(Rot_mX_mY_mZ, Tr_12_12_12), 3154 SymOp(Rot_X_Y_mZ, Tr_12_12_12), 3155 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 3156 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 3157 SymOp(Rot_X_mY_Z, Tr_12_12_0), 3158 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 3159 SymOp(Rot_mY_mX_Z, Tr_12_12_0), 3160 SymOp(Rot_Y_X_Z, Tr_12_12_0)]) 3161 3162 sg141 = SpaceGroup( 3163 number = 141, 3164 num_sym_equiv = 32, 3165 num_primitive_sym_equiv = 16, 3166 short_name = "I41/amd", 3167 alt_name = "I 41/A M D", 3168 point_group_name = "PG4/mmm", 3169 crystal_system = "TETRAGONAL", 3170 pdb_name = "I 41/a 2/m 2/d", 3171 symop_list = [ 3172 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3173 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 3174 SymOp(Rot_mY_X_Z, Tr_0_12_14), 3175 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 3176 SymOp(Rot_mX_Y_mZ, Tr_12_0_34), 3177 SymOp(Rot_X_mY_mZ, Tr_0_12_14), 3178 SymOp(Rot_Y_X_mZ, Tr_12_12_12), 3179 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3180 SymOp(Rot_mX_mY_mZ, Tr_0_12_14), 3181 SymOp(Rot_X_Y_mZ, Tr_12_0_34), 3182 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3183 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 3184 SymOp(Rot_X_mY_Z, Tr_12_12_12), 3185 SymOp(Rot_mX_Y_Z, Tr_0_0_0), 3186 SymOp(Rot_mY_mX_Z, Tr_12_0_34), 3187 SymOp(Rot_Y_X_Z, Tr_0_12_14), 3188 SymOp(Rot_X_Y_Z, Tr_12_12_12), 3189 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3190 SymOp(Rot_mY_X_Z, Tr_12_0_34), 3191 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 3192 SymOp(Rot_mX_Y_mZ, Tr_0_12_14), 3193 SymOp(Rot_X_mY_mZ, Tr_12_0_34), 3194 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3195 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 3196 SymOp(Rot_mX_mY_mZ, Tr_12_0_34), 3197 SymOp(Rot_X_Y_mZ, Tr_0_12_14), 3198 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 3199 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3200 SymOp(Rot_X_mY_Z, Tr_0_0_0), 3201 SymOp(Rot_mX_Y_Z, Tr_12_12_12), 3202 SymOp(Rot_mY_mX_Z, Tr_0_12_14), 3203 SymOp(Rot_Y_X_Z, Tr_12_0_34)]) 3204 3205 sg142 = SpaceGroup( 3206 number = 142, 3207 num_sym_equiv = 32, 3208 num_primitive_sym_equiv = 16, 3209 short_name = "I41/acd", 3210 alt_name = "I 41/A C D", 3211 point_group_name = "PG4/mmm", 3212 crystal_system = "TETRAGONAL", 3213 pdb_name = "I 41/a 2/c 2/d", 3214 symop_list = [ 3215 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3216 SymOp(Rot_mX_mY_Z, Tr_12_12_12), 3217 SymOp(Rot_mY_X_Z, Tr_0_12_14), 3218 SymOp(Rot_Y_mX_Z, Tr_12_0_34), 3219 SymOp(Rot_mX_Y_mZ, Tr_12_0_14), 3220 SymOp(Rot_X_mY_mZ, Tr_0_12_34), 3221 SymOp(Rot_Y_X_mZ, Tr_12_12_0), 3222 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 3223 SymOp(Rot_mX_mY_mZ, Tr_0_12_14), 3224 SymOp(Rot_X_Y_mZ, Tr_12_0_34), 3225 SymOp(Rot_Y_mX_mZ, Tr_0_0_0), 3226 SymOp(Rot_mY_X_mZ, Tr_12_12_12), 3227 SymOp(Rot_X_mY_Z, Tr_12_12_0), 3228 SymOp(Rot_mX_Y_Z, Tr_0_0_12), 3229 SymOp(Rot_mY_mX_Z, Tr_12_0_14), 3230 SymOp(Rot_Y_X_Z, Tr_0_12_34), 3231 SymOp(Rot_X_Y_Z, Tr_12_12_12), 3232 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3233 SymOp(Rot_mY_X_Z, Tr_12_0_34), 3234 SymOp(Rot_Y_mX_Z, Tr_0_12_14), 3235 SymOp(Rot_mX_Y_mZ, Tr_0_12_34), 3236 SymOp(Rot_X_mY_mZ, Tr_12_0_14), 3237 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 3238 SymOp(Rot_mY_mX_mZ, Tr_12_12_0), 3239 SymOp(Rot_mX_mY_mZ, Tr_12_0_34), 3240 SymOp(Rot_X_Y_mZ, Tr_0_12_14), 3241 SymOp(Rot_Y_mX_mZ, Tr_12_12_12), 3242 SymOp(Rot_mY_X_mZ, Tr_0_0_0), 3243 SymOp(Rot_X_mY_Z, Tr_0_0_12), 3244 SymOp(Rot_mX_Y_Z, Tr_12_12_0), 3245 SymOp(Rot_mY_mX_Z, Tr_0_12_34), 3246 SymOp(Rot_Y_X_Z, Tr_12_0_14)]) 3247 3248 sg143 = SpaceGroup( 3249 number = 143, 3250 num_sym_equiv = 3, 3251 num_primitive_sym_equiv = 3, 3252 short_name = "P3", 3253 alt_name = "P 3", 3254 point_group_name = "PG3", 3255 crystal_system = "TRIGONAL", 3256 pdb_name = "P 3", 3257 symop_list = [ 3258 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3259 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3260 SymOp(Rot_mXY_mX_Z, Tr_0_0_0)]) 3261 3262 sg144 = SpaceGroup( 3263 number = 144, 3264 num_sym_equiv = 3, 3265 num_primitive_sym_equiv = 3, 3266 short_name = "P31", 3267 alt_name = "P 31", 3268 point_group_name = "PG3", 3269 crystal_system = "TRIGONAL", 3270 pdb_name = "P 31", 3271 symop_list = [ 3272 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3273 SymOp(Rot_mY_XmY_Z, Tr_0_0_13), 3274 SymOp(Rot_mXY_mX_Z, Tr_0_0_23)]) 3275 3276 sg145 = SpaceGroup( 3277 number = 145, 3278 num_sym_equiv = 3, 3279 num_primitive_sym_equiv = 3, 3280 short_name = "P32", 3281 alt_name = "P 32", 3282 point_group_name = "PG3", 3283 crystal_system = "TRIGONAL", 3284 pdb_name = "P 32", 3285 symop_list = [ 3286 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3287 SymOp(Rot_mY_XmY_Z, Tr_0_0_23), 3288 SymOp(Rot_mXY_mX_Z, Tr_0_0_13)]) 3289 3290 sg146 = SpaceGroup( 3291 number = 146, 3292 num_sym_equiv = 9, 3293 num_primitive_sym_equiv = 3, 3294 short_name = "H3", 3295 alt_name = "H 3", 3296 point_group_name = "PG3", 3297 crystal_system = "TRIGONAL", 3298 pdb_name = "H 3", 3299 symop_list = [ 3300 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3301 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3302 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3303 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3304 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3305 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3306 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3307 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3308 SymOp(Rot_mXY_mX_Z, Tr_13_23_23)]) 3309 3310 sg1146 = SpaceGroup( 3311 number = 1146, 3312 num_sym_equiv = 3, 3313 num_primitive_sym_equiv = 3, 3314 short_name = "R3", 3315 alt_name = "R 3", 3316 point_group_name = "PG3", 3317 crystal_system = "TRIGONAL", 3318 pdb_name = "R 3", 3319 symop_list = [ 3320 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3321 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3322 SymOp(Rot_Y_Z_X, Tr_0_0_0)]) 3323 3324 sg147 = SpaceGroup( 3325 number = 147, 3326 num_sym_equiv = 6, 3327 num_primitive_sym_equiv = 6, 3328 short_name = "P-3", 3329 alt_name = "P -3", 3330 point_group_name = "PG3bar", 3331 crystal_system = "TRIGONAL", 3332 pdb_name = "P -3", 3333 symop_list = [ 3334 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3335 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3336 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3337 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3338 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3339 SymOp(Rot_XmY_X_mZ, Tr_0_0_0)]) 3340 3341 sg148 = SpaceGroup( 3342 number = 148, 3343 num_sym_equiv = 18, 3344 num_primitive_sym_equiv = 6, 3345 short_name = "H-3", 3346 alt_name = "H -3", 3347 point_group_name = "PG3bar", 3348 crystal_system = "TRIGONAL", 3349 pdb_name = "H -3", 3350 symop_list = [ 3351 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3352 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3353 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3354 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3355 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3356 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3357 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3358 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3359 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3360 SymOp(Rot_mX_mY_mZ, Tr_23_13_13), 3361 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), 3362 SymOp(Rot_XmY_X_mZ, Tr_23_13_13), 3363 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3364 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3365 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3366 SymOp(Rot_mX_mY_mZ, Tr_13_23_23), 3367 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), 3368 SymOp(Rot_XmY_X_mZ, Tr_13_23_23)]) 3369 3370 sg1148 = SpaceGroup( 3371 number = 1148, 3372 num_sym_equiv = 6, 3373 num_primitive_sym_equiv = 6, 3374 short_name = "R-3", 3375 point_group_name = "PG3bar", 3376 crystal_system = "TRIGONAL", 3377 pdb_name = "R -3", 3378 symop_list = [ 3379 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3380 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3381 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3382 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3383 SymOp(Rot_mZ_mX_mY, Tr_0_0_0), 3384 SymOp(Rot_mY_mZ_mX, Tr_0_0_0)]) 3385 3386 sg149 = SpaceGroup( 3387 number = 149, 3388 num_sym_equiv = 6, 3389 num_primitive_sym_equiv = 6, 3390 short_name = "P312", 3391 alt_name = "P 3 1 2", 3392 point_group_name = "PG312", 3393 crystal_system = "TRIGONAL", 3394 pdb_name = "P 3 1 2", 3395 symop_list = [ 3396 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3397 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3398 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3399 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3400 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), 3401 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) 3402 3403 sg150 = SpaceGroup( 3404 number = 150, 3405 num_sym_equiv = 6, 3406 num_primitive_sym_equiv = 6, 3407 short_name = "P321", 3408 alt_name = "P 3 2 1", 3409 point_group_name = "PG321", 3410 crystal_system = "TRIGONAL", 3411 pdb_name = "P 3 2 1", 3412 symop_list = [ 3413 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3414 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3415 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3416 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3417 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), 3418 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0)]) 3419 3420 sg151 = SpaceGroup( 3421 number = 151, 3422 num_sym_equiv = 6, 3423 num_primitive_sym_equiv = 6, 3424 short_name = "P3112", 3425 alt_name = "P 31 1 2", 3426 point_group_name = "PG312", 3427 crystal_system = "TRIGONAL", 3428 pdb_name = "P 31 1 2", 3429 symop_list = [ 3430 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3431 SymOp(Rot_mY_XmY_Z, Tr_0_0_13), 3432 SymOp(Rot_mXY_mX_Z, Tr_0_0_23), 3433 SymOp(Rot_mY_mX_mZ, Tr_0_0_23), 3434 SymOp(Rot_mXY_Y_mZ, Tr_0_0_13), 3435 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) 3436 3437 sg152 = SpaceGroup( 3438 number = 152, 3439 num_sym_equiv = 6, 3440 num_primitive_sym_equiv = 6, 3441 short_name = "P3121", 3442 alt_name = "P 31 2 1", 3443 point_group_name = "PG321", 3444 crystal_system = "TRIGONAL", 3445 pdb_name = "P 31 2 1", 3446 symop_list = [ 3447 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3448 SymOp(Rot_mY_XmY_Z, Tr_0_0_13), 3449 SymOp(Rot_mXY_mX_Z, Tr_0_0_23), 3450 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3451 SymOp(Rot_XmY_mY_mZ, Tr_0_0_23), 3452 SymOp(Rot_mX_mXY_mZ, Tr_0_0_13)]) 3453 3454 sg153 = SpaceGroup( 3455 number = 153, 3456 num_sym_equiv = 6, 3457 num_primitive_sym_equiv = 6, 3458 short_name = "P3212", 3459 alt_name = "P 32 1 2", 3460 point_group_name = "PG312", 3461 crystal_system = "TRIGONAL", 3462 pdb_name = "P 32 1 2", 3463 symop_list = [ 3464 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3465 SymOp(Rot_mY_XmY_Z, Tr_0_0_23), 3466 SymOp(Rot_mXY_mX_Z, Tr_0_0_13), 3467 SymOp(Rot_mY_mX_mZ, Tr_0_0_13), 3468 SymOp(Rot_mXY_Y_mZ, Tr_0_0_23), 3469 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) 3470 3471 sg154 = SpaceGroup( 3472 number = 154, 3473 num_sym_equiv = 6, 3474 num_primitive_sym_equiv = 6, 3475 short_name = "P3221", 3476 alt_name = "P 32 2 1", 3477 point_group_name = "PG321", 3478 crystal_system = "TRIGONAL", 3479 pdb_name = "P 32 2 1", 3480 symop_list = [ 3481 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3482 SymOp(Rot_mY_XmY_Z, Tr_0_0_23), 3483 SymOp(Rot_mXY_mX_Z, Tr_0_0_13), 3484 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3485 SymOp(Rot_XmY_mY_mZ, Tr_0_0_13), 3486 SymOp(Rot_mX_mXY_mZ, Tr_0_0_23)]) 3487 3488 sg155 = SpaceGroup( 3489 number = 155, 3490 num_sym_equiv = 18, 3491 num_primitive_sym_equiv = 6, 3492 short_name = "H32", 3493 alt_name = "H 3 2" , 3494 point_group_name = "PG321", 3495 crystal_system = "TRIGONAL", 3496 pdb_name = "H 3 2", 3497 symop_list = [ 3498 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3499 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3500 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3501 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3502 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), 3503 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), 3504 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3505 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3506 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3507 SymOp(Rot_Y_X_mZ, Tr_23_13_13), 3508 SymOp(Rot_XmY_mY_mZ, Tr_23_13_13), 3509 SymOp(Rot_mX_mXY_mZ, Tr_23_13_13), 3510 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3511 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3512 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3513 SymOp(Rot_Y_X_mZ, Tr_13_23_23), 3514 SymOp(Rot_XmY_mY_mZ, Tr_13_23_23), 3515 SymOp(Rot_mX_mXY_mZ, Tr_13_23_23)]) 3516 3517 sg1155 = SpaceGroup( 3518 number = 1155, 3519 num_sym_equiv = 6, 3520 num_primitive_sym_equiv = 6, 3521 short_name = "R32", 3522 alt_name = "R 3 2", 3523 point_group_name = "PG32", 3524 crystal_system = "TRIGONAL", 3525 pdb_name = "R 3 2", 3526 symop_list = [ 3527 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3528 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3529 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3530 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3531 SymOp(Rot_mX_mZ_mY, Tr_0_0_0), 3532 SymOp(Rot_mZ_mY_mX, Tr_0_0_0)]) 3533 3534 sg156 = SpaceGroup( 3535 number = 156, 3536 num_sym_equiv = 6, 3537 num_primitive_sym_equiv = 6, 3538 short_name = "P3m1", 3539 alt_name = "P 3 M 1", 3540 point_group_name = "PG3m1", 3541 crystal_system = "TRIGONAL", 3542 pdb_name = "P 3 m 1", 3543 symop_list = [ 3544 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3545 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3546 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3547 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3548 SymOp(Rot_mXY_Y_Z, Tr_0_0_0), 3549 SymOp(Rot_X_XmY_Z, Tr_0_0_0)]) 3550 3551 sg157 = SpaceGroup( 3552 number = 157, 3553 num_sym_equiv = 6, 3554 num_primitive_sym_equiv = 6, 3555 short_name = "P31m", 3556 alt_name = "P 3 1 M", 3557 point_group_name = "PG31m", 3558 crystal_system = "TRIGONAL", 3559 pdb_name = "P 3 1 m", 3560 symop_list = [ 3561 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3562 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3563 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3564 SymOp(Rot_Y_X_Z, Tr_0_0_0), 3565 SymOp(Rot_XmY_mY_Z, Tr_0_0_0), 3566 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) 3567 3568 sg158 = SpaceGroup( 3569 number = 158, 3570 num_sym_equiv = 6, 3571 num_primitive_sym_equiv = 6, 3572 short_name = "P3c1", 3573 alt_name = "P 3 C 1", 3574 point_group_name = "PG3m1", 3575 crystal_system = "TRIGONAL", 3576 pdb_name = "P 3 c 1", 3577 symop_list = [ 3578 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3579 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3580 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3581 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 3582 SymOp(Rot_mXY_Y_Z, Tr_0_0_12), 3583 SymOp(Rot_X_XmY_Z, Tr_0_0_12)]) 3584 3585 sg159 = SpaceGroup( 3586 number = 159, 3587 num_sym_equiv = 6, 3588 num_primitive_sym_equiv = 6, 3589 short_name = "P31c", 3590 alt_name = "P 3 1 C", 3591 point_group_name = "PG31m", 3592 crystal_system = "TRIGONAL", 3593 pdb_name = "P 3 1 c", 3594 symop_list = [ 3595 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3596 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3597 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3598 SymOp(Rot_Y_X_Z, Tr_0_0_12), 3599 SymOp(Rot_XmY_mY_Z, Tr_0_0_12), 3600 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) 3601 3602 sg160 = SpaceGroup( 3603 number = 160, 3604 num_sym_equiv = 18, 3605 num_primitive_sym_equiv = 6, 3606 short_name = "H3m", 3607 alt_name = "H 3 M", 3608 point_group_name = "PG3m", 3609 crystal_system = "TRIGONAL", 3610 pdb_name = "H 3 m", 3611 symop_list = [ 3612 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3613 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3614 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3615 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3616 SymOp(Rot_mXY_Y_Z, Tr_0_0_0), 3617 SymOp(Rot_X_XmY_Z, Tr_0_0_0), 3618 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3619 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3620 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3621 SymOp(Rot_mY_mX_Z, Tr_23_13_13), 3622 SymOp(Rot_mXY_Y_Z, Tr_23_13_13), 3623 SymOp(Rot_X_XmY_Z, Tr_23_13_13), 3624 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3625 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3626 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3627 SymOp(Rot_mY_mX_Z, Tr_13_23_23), 3628 SymOp(Rot_mXY_Y_Z, Tr_13_23_23), 3629 SymOp(Rot_X_XmY_Z, Tr_13_23_23)]) 3630 3631 sg1160 = SpaceGroup( 3632 number = 1160, 3633 num_sym_equiv = 6, 3634 num_primitive_sym_equiv = 6, 3635 short_name = "R3m", 3636 alt_name = "R 3 M", 3637 point_group_name = "PG3m", 3638 crystal_system = "TRIGONAL", 3639 pdb_name = "R 3 m", 3640 symop_list = [ 3641 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3642 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3643 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3644 SymOp(Rot_Y_X_Z, Tr_0_0_0), 3645 SymOp(Rot_X_Z_Y, Tr_0_0_0), 3646 SymOp(Rot_Z_Y_X, Tr_0_0_0)]) 3647 3648 sg161 = SpaceGroup( 3649 number = 161, 3650 num_sym_equiv = 18, 3651 num_primitive_sym_equiv = 6, 3652 short_name = "H3c", 3653 alt_name = "H 3 C", 3654 point_group_name = "PG3m", 3655 crystal_system = "TRIGONAL", 3656 pdb_name = "H 3 c", 3657 symop_list = [ 3658 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3659 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3660 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3661 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 3662 SymOp(Rot_mXY_Y_Z, Tr_0_0_12), 3663 SymOp(Rot_X_XmY_Z, Tr_0_0_12), 3664 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3665 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3666 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3667 SymOp(Rot_mY_mX_Z, Tr_23_13_56), 3668 SymOp(Rot_mXY_Y_Z, Tr_23_13_56), 3669 SymOp(Rot_X_XmY_Z, Tr_23_13_56), 3670 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3671 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3672 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3673 SymOp(Rot_mY_mX_Z, Tr_13_23_16), 3674 SymOp(Rot_mXY_Y_Z, Tr_13_23_16), 3675 SymOp(Rot_X_XmY_Z, Tr_13_23_16)]) 3676 3677 sg1161 = SpaceGroup( 3678 number = 1161, 3679 num_sym_equiv = 6, 3680 num_primitive_sym_equiv = 6, 3681 short_name = "R3c", 3682 alt_name = "R 3 C", 3683 point_group_name = "PG3m", 3684 crystal_system = "TRIGONAL", 3685 pdb_name = "R 3 c", 3686 symop_list = [ 3687 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3688 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3689 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3690 SymOp(Rot_Y_X_Z, Tr_12_12_12), 3691 SymOp(Rot_X_Z_Y, Tr_12_12_12), 3692 SymOp(Rot_Z_Y_X, Tr_12_12_12)]) 3693 3694 sg162 = SpaceGroup( 3695 number = 162, 3696 num_sym_equiv = 12, 3697 num_primitive_sym_equiv = 12, 3698 short_name = "P-31m", 3699 alt_name = "P -3 1 M", 3700 point_group_name = "PG3bar1m", 3701 crystal_system = "TRIGONAL", 3702 pdb_name = "P -3 1 2/m", 3703 symop_list = [ 3704 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3705 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3706 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3707 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3708 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), 3709 SymOp(Rot_X_XmY_mZ, Tr_0_0_0), 3710 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3711 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3712 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3713 SymOp(Rot_Y_X_Z, Tr_0_0_0), 3714 SymOp(Rot_XmY_mY_Z, Tr_0_0_0), 3715 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) 3716 3717 sg163 = SpaceGroup( 3718 number = 163, 3719 num_sym_equiv = 12, 3720 num_primitive_sym_equiv = 12, 3721 short_name = "P-31c", 3722 alt_name = "P -3 1 C", 3723 point_group_name = "PG3bar1m", 3724 crystal_system = "TRIGONAL", 3725 pdb_name = "P -3 1 2/c", 3726 symop_list = [ 3727 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3728 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3729 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3730 SymOp(Rot_mY_mX_mZ, Tr_0_0_12), 3731 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), 3732 SymOp(Rot_X_XmY_mZ, Tr_0_0_12), 3733 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3734 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3735 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3736 SymOp(Rot_Y_X_Z, Tr_0_0_12), 3737 SymOp(Rot_XmY_mY_Z, Tr_0_0_12), 3738 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) 3739 3740 sg164 = SpaceGroup( 3741 number = 164, 3742 num_sym_equiv = 12, 3743 num_primitive_sym_equiv = 12, 3744 short_name = "P-3m1", 3745 alt_name = "P -3 M 1", 3746 point_group_name = "PG3barm1", 3747 crystal_system = "TRIGONAL", 3748 pdb_name = "P -3 2/m 1", 3749 symop_list = [ 3750 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3751 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3752 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3753 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3754 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), 3755 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), 3756 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3757 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3758 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3759 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3760 SymOp(Rot_mXY_Y_Z, Tr_0_0_0), 3761 SymOp(Rot_X_XmY_Z, Tr_0_0_0)]) 3762 3763 sg165 = SpaceGroup( 3764 number = 165, 3765 num_sym_equiv = 12, 3766 num_primitive_sym_equiv = 12, 3767 short_name = "P-3c1", 3768 alt_name = "P -3 C 1", 3769 point_group_name = "PG3barm1", 3770 crystal_system = "TRIGONAL", 3771 pdb_name = "P -3 2/c 1", 3772 symop_list = [ 3773 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3774 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3775 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3776 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 3777 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), 3778 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), 3779 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3780 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3781 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3782 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 3783 SymOp(Rot_mXY_Y_Z, Tr_0_0_12), 3784 SymOp(Rot_X_XmY_Z, Tr_0_0_12)]) 3785 3786 sg166 = SpaceGroup( 3787 number = 166, 3788 num_sym_equiv = 36, 3789 num_primitive_sym_equiv = 12, 3790 short_name = "H-3m", 3791 alt_name = "H -3 M", 3792 point_group_name = "PG3barm", 3793 crystal_system = "TRIGONAL", 3794 pdb_name = "H -3 2/m", 3795 symop_list = [ 3796 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3797 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3798 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3799 SymOp(Rot_Y_X_mZ, Tr_0_0_0), 3800 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), 3801 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), 3802 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3803 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3804 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3805 SymOp(Rot_mY_mX_Z, Tr_0_0_0), 3806 SymOp(Rot_mXY_Y_Z, Tr_0_0_0), 3807 SymOp(Rot_X_XmY_Z, Tr_0_0_0), 3808 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3809 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3810 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3811 SymOp(Rot_Y_X_mZ, Tr_23_13_13), 3812 SymOp(Rot_XmY_mY_mZ, Tr_23_13_13), 3813 SymOp(Rot_mX_mXY_mZ, Tr_23_13_13), 3814 SymOp(Rot_mX_mY_mZ, Tr_23_13_13), 3815 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), 3816 SymOp(Rot_XmY_X_mZ, Tr_23_13_13), 3817 SymOp(Rot_mY_mX_Z, Tr_23_13_13), 3818 SymOp(Rot_mXY_Y_Z, Tr_23_13_13), 3819 SymOp(Rot_X_XmY_Z, Tr_23_13_13), 3820 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3821 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3822 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3823 SymOp(Rot_Y_X_mZ, Tr_13_23_23), 3824 SymOp(Rot_XmY_mY_mZ, Tr_13_23_23), 3825 SymOp(Rot_mX_mXY_mZ, Tr_13_23_23), 3826 SymOp(Rot_mX_mY_mZ, Tr_13_23_23), 3827 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), 3828 SymOp(Rot_XmY_X_mZ, Tr_13_23_23), 3829 SymOp(Rot_mY_mX_Z, Tr_13_23_23), 3830 SymOp(Rot_mXY_Y_Z, Tr_13_23_23), 3831 SymOp(Rot_X_XmY_Z, Tr_13_23_23)]) 3832 3833 sg1166 = SpaceGroup( 3834 number = 1166, 3835 num_sym_equiv = 12, 3836 num_primitive_sym_equiv = 12, 3837 short_name = "R-3m", 3838 alt_name = "R -3 M", 3839 point_group_name = "PG3barm", 3840 crystal_system = "TRIGONAL", 3841 pdb_name = "R -3 2/m", 3842 symop_list = [ 3843 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3844 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3845 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3846 SymOp(Rot_mY_mX_mZ, Tr_0_0_0), 3847 SymOp(Rot_mX_mZ_mY, Tr_0_0_0), 3848 SymOp(Rot_mZ_mY_mX, Tr_0_0_0), 3849 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3850 SymOp(Rot_mZ_mX_mY, Tr_0_0_0), 3851 SymOp(Rot_mY_mZ_mX, Tr_0_0_0), 3852 SymOp(Rot_Y_X_Z, Tr_0_0_0), 3853 SymOp(Rot_X_Z_Y, Tr_0_0_0), 3854 SymOp(Rot_Z_Y_X, Tr_0_0_0)]) 3855 3856 sg167 = SpaceGroup( 3857 number = 167, 3858 num_sym_equiv = 36, 3859 num_primitive_sym_equiv = 12, 3860 short_name = "H-3c", 3861 alt_name = "H -3 C", 3862 point_group_name = "PG3barm", 3863 crystal_system = "TRIGONAL", 3864 pdb_name = "H -3 2/c", 3865 symop_list = [ 3866 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3867 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3868 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3869 SymOp(Rot_Y_X_mZ, Tr_0_0_12), 3870 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), 3871 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), 3872 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3873 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), 3874 SymOp(Rot_XmY_X_mZ, Tr_0_0_0), 3875 SymOp(Rot_mY_mX_Z, Tr_0_0_12), 3876 SymOp(Rot_mXY_Y_Z, Tr_0_0_12), 3877 SymOp(Rot_X_XmY_Z, Tr_0_0_12), 3878 SymOp(Rot_X_Y_Z, Tr_23_13_13), 3879 SymOp(Rot_mY_XmY_Z, Tr_23_13_13), 3880 SymOp(Rot_mXY_mX_Z, Tr_23_13_13), 3881 SymOp(Rot_Y_X_mZ, Tr_23_13_56), 3882 SymOp(Rot_XmY_mY_mZ, Tr_23_13_56), 3883 SymOp(Rot_mX_mXY_mZ, Tr_23_13_56), 3884 SymOp(Rot_mX_mY_mZ, Tr_23_13_13), 3885 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), 3886 SymOp(Rot_XmY_X_mZ, Tr_23_13_13), 3887 SymOp(Rot_mY_mX_Z, Tr_23_13_56), 3888 SymOp(Rot_mXY_Y_Z, Tr_23_13_56), 3889 SymOp(Rot_X_XmY_Z, Tr_23_13_56), 3890 SymOp(Rot_X_Y_Z, Tr_13_23_23), 3891 SymOp(Rot_mY_XmY_Z, Tr_13_23_23), 3892 SymOp(Rot_mXY_mX_Z, Tr_13_23_23), 3893 SymOp(Rot_Y_X_mZ, Tr_13_23_16), 3894 SymOp(Rot_XmY_mY_mZ, Tr_13_23_16), 3895 SymOp(Rot_mX_mXY_mZ, Tr_13_23_16), 3896 SymOp(Rot_mX_mY_mZ, Tr_13_23_23), 3897 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), 3898 SymOp(Rot_XmY_X_mZ, Tr_13_23_23), 3899 SymOp(Rot_mY_mX_Z, Tr_13_23_16), 3900 SymOp(Rot_mXY_Y_Z, Tr_13_23_16), 3901 SymOp(Rot_X_XmY_Z, Tr_13_23_16)]) 3902 3903 sg1167 = SpaceGroup( 3904 number = 1167, 3905 num_sym_equiv = 12, 3906 num_primitive_sym_equiv = 12, 3907 short_name = "R-3c", 3908 alt_name = "R -3 C", 3909 point_group_name = "PG3barm", 3910 crystal_system = "TRIGONAL", 3911 pdb_name = "R -3 2/c", 3912 symop_list = [ 3913 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3914 SymOp(Rot_Z_X_Y, Tr_0_0_0), 3915 SymOp(Rot_Y_Z_X, Tr_0_0_0), 3916 SymOp(Rot_mY_mX_mZ, Tr_12_12_12), 3917 SymOp(Rot_mX_mZ_mY, Tr_12_12_12), 3918 SymOp(Rot_mZ_mY_mX, Tr_12_12_12), 3919 SymOp(Rot_mX_mY_mZ, Tr_0_0_0), 3920 SymOp(Rot_mZ_mX_mY, Tr_0_0_0), 3921 SymOp(Rot_mY_mZ_mX, Tr_0_0_0), 3922 SymOp(Rot_Y_X_Z, Tr_12_12_12), 3923 SymOp(Rot_X_Z_Y, Tr_12_12_12), 3924 SymOp(Rot_Z_Y_X, Tr_12_12_12)]) 3925 3926 sg168 = SpaceGroup( 3927 number = 168, 3928 num_sym_equiv = 6, 3929 num_primitive_sym_equiv = 6, 3930 short_name = "P6", 3931 alt_name = "P 6", 3932 point_group_name = "PG6", 3933 crystal_system = "HEXAGONAL", 3934 pdb_name = "P 6", 3935 symop_list = [ 3936 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3937 SymOp(Rot_mY_XmY_Z, Tr_0_0_0), 3938 SymOp(Rot_mXY_mX_Z, Tr_0_0_0), 3939 SymOp(Rot_mX_mY_Z, Tr_0_0_0), 3940 SymOp(Rot_Y_mXY_Z, Tr_0_0_0), 3941 SymOp(Rot_XmY_X_Z, Tr_0_0_0)]) 3942 3943 sg169 = SpaceGroup( 3944 number = 169, 3945 num_sym_equiv = 6, 3946 num_primitive_sym_equiv = 6, 3947 short_name = "P61", 3948 alt_name = "P 61", 3949 point_group_name = "PG6", 3950 crystal_system = "HEXAGONAL", 3951 pdb_name = "P 61", 3952 symop_list = [ 3953 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3954 SymOp(Rot_mY_XmY_Z, Tr_0_0_13), 3955 SymOp(Rot_mXY_mX_Z, Tr_0_0_23), 3956 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 3957 SymOp(Rot_Y_mXY_Z, Tr_0_0_56), 3958 SymOp(Rot_XmY_X_Z, Tr_0_0_16)]) 3959 3960 sg170 = SpaceGroup( 3961 number = 170, 3962 num_sym_equiv = 6, 3963 num_primitive_sym_equiv = 6, 3964 short_name = "P65", 3965 alt_name = "P 65", 3966 point_group_name = "PG6", 3967 crystal_system = "HEXAGONAL", 3968 pdb_name = "P 65", 3969 symop_list = [ 3970 SymOp(Rot_X_Y_Z, Tr_0_0_0), 3971 SymOp(Rot_mY_XmY_Z, Tr_0_0_23), 3972 SymOp(Rot_mXY_mX_Z, Tr_0_0_13), 3973 SymOp(Rot_mX_mY_Z, Tr_0_0_12), 3974 SymOp(Rot_Y_mXY_Z, Tr_0_0_16), 3975 SymOp(Rot_XmY_X_Z, Tr_0_0_56)]) 3976 3977 sg171 = SpaceGroup( 3978