# generated using pymatgen
data_SbW47S96
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbW47S96
_chemical_formula_sum   'Sb1 W47 S96'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sb  Sb1  1  -0.000000  0.749736  0.500001  1
  W  W2  1  0.086642  0.878389  0.499999  1
  W  W3  1  -0.000000  0.496442  0.499988  1
  W  W4  1  0.085175  0.620081  0.499997  1
  W  W5  1  0.172016  0.750645  0.500001  1
  W  W6  1  0.253129  0.876776  0.499999  1
  W  W7  1  0.000000  0.248944  0.500000  1
  W  W8  1  0.083130  0.373701  0.499994  1
  W  W9  1  0.166706  0.497819  0.499993  1
  W  W10  1  0.249320  0.625147  0.500001  1
  W  W11  1  0.334898  0.751273  0.500001  1
  W  W12  1  0.417136  0.876393  0.499999  1
  W  W13  1  -0.000000  -0.000625  0.500000  1
  W  W14  1  0.084641  0.124822  0.500002  1
  W  W15  1  0.167955  0.248870  0.500000  1
  W  W16  1  0.251192  0.374063  0.499998  1
  W  W17  1  0.332841  0.498955  0.500003  1
  W  W18  1  0.416978  0.625862  0.500004  1
  W  W19  1  0.500000  0.750280  0.500001  1
  W  W20  1  0.582864  0.876393  0.499996  1
  W  W21  1  0.168383  0.000859  0.500000  1
  W  W22  1  0.249679  0.124897  0.500000  1
  W  W23  1  0.334100  0.249889  0.500000  1
  W  W24  1  0.415679  0.376655  0.500003  1
  W  W25  1  0.500000  0.500569  0.500008  1
  W  W26  1  0.583022  0.625862  0.500003  1
  W  W27  1  0.665102  0.751273  0.499997  1
  W  W28  1  0.746871  0.876776  0.499995  1
  W  W29  1  0.332879  0.000129  0.499998  1
  W  W30  1  0.423426  0.130407  0.499999  1
  W  W31  1  0.500000  0.241799  0.500001  1
  W  W32  1  0.584321  0.376655  0.500003  1
  W  W33  1  0.667159  0.498955  0.500002  1
  W  W34  1  0.750679  0.625147  0.499998  1
  W  W35  1  0.827984  0.750645  0.499998  1
  W  W36  1  0.913358  0.878389  0.499997  1
  W  W37  1  0.500000  0.001682  0.499994  1
  W  W38  1  0.576574  0.130407  0.499999  1
  W  W39  1  0.665900  0.249889  0.500003  1
  W  W40  1  0.748808  0.374063  0.500000  1
  W  W41  1  0.833294  0.497819  0.499992  1
  W  W42  1  0.914825  0.620081  0.499996  1
  W  W43  1  0.667121  0.000129  0.499995  1
  W  W44  1  0.750320  0.124897  0.500001  1
  W  W45  1  0.832045  0.248870  0.500002  1
  W  W46  1  0.916870  0.373701  0.499995  1
  W  W47  1  0.831617  0.000859  0.499998  1
  W  W48  1  0.915360  0.124822  0.500003  1
  S  S49  1  0.093686  0.796611  0.383784  1
  S  S50  1  0.169481  0.918390  0.388723  1
  S  S51  1  0.083627  0.537938  0.388672  1
  S  S52  1  0.166041  0.666681  0.390214  1
  S  S53  1  0.253162  0.793313  0.388699  1
  S  S54  1  0.335150  0.917956  0.387746  1
  S  S55  1  0.083863  0.290349  0.389672  1
  S  S56  1  0.167117  0.414773  0.389296  1
  S  S57  1  0.249775  0.541266  0.389699  1
  S  S58  1  0.333181  0.667083  0.389731  1
  S  S59  1  0.417618  0.792779  0.389124  1
  S  S60  1  0.500000  0.918485  0.389268  1
  S  S61  1  0.083611  0.041382  0.389498  1
  S  S62  1  0.167364  0.166370  0.388379  1
  S  S63  1  0.251103  0.290849  0.388913  1
  S  S64  1  0.333009  0.416429  0.387877  1
  S  S65  1  0.416299  0.542088  0.389756  1
  S  S66  1  0.500000  0.667092  0.388966  1
  S  S67  1  0.582382  0.792779  0.389125  1
  S  S68  1  0.664850  0.917955  0.387747  1
  S  S69  1  0.250806  0.042421  0.388879  1
  S  S70  1  0.334410  0.166647  0.389341  1
  S  S71  1  0.418502  0.291713  0.390360  1
  S  S72  1  0.500000  0.417136  0.390043  1
  S  S73  1  0.583701  0.542088  0.389756  1
  S  S74  1  0.666820  0.667082  0.389732  1
  S  S75  1  0.746838  0.793313  0.388701  1
  S  S76  1  0.830519  0.918390  0.388725  1
  S  S77  1  0.416674  0.044389  0.390719  1
  S  S78  1  0.500000  0.166762  0.375562  1
  S  S79  1  0.581498  0.291713  0.390359  1
  S  S80  1  0.666991  0.416429  0.387877  1
  S  S81  1  0.750225  0.541266  0.389700  1
  S  S82  1  0.833959  0.666681  0.390215  1
  S  S83  1  0.906314  0.796611  0.383785  1
  S  S84  1  -0.000000  0.916120  0.390158  1
  S  S85  1  0.583326  0.044389  0.390719  1
  S  S86  1  0.665590  0.166646  0.389341  1
  S  S87  1  0.748897  0.290849  0.388913  1
  S  S88  1  0.832883  0.414773  0.389295  1
  S  S89  1  0.916373  0.537938  0.388672  1
  S  S90  1  0.000000  0.655743  0.383807  1
  S  S91  1  0.749194  0.042420  0.388879  1
  S  S92  1  0.832636  0.166370  0.388379  1
  S  S93  1  0.916137  0.290348  0.389672  1
  S  S94  1  0.000000  0.414171  0.388390  1
  S  S95  1  0.916389  0.041382  0.389498  1
  S  S96  1  -0.000000  0.165616  0.389856  1
  S  S97  1  0.093687  0.796613  0.616215  1
  S  S98  1  0.169479  0.918390  0.611274  1
  S  S99  1  0.083627  0.537937  0.611337  1
  S  S100  1  0.166042  0.666681  0.609791  1
  S  S101  1  0.253163  0.793312  0.611300  1
  S  S102  1  0.335148  0.917956  0.612259  1
  S  S103  1  0.083863  0.290347  0.610329  1
  S  S104  1  0.167118  0.414772  0.610708  1
  S  S105  1  0.249776  0.541266  0.610300  1
  S  S106  1  0.333181  0.667082  0.610268  1
  S  S107  1  0.417618  0.792777  0.610879  1
  S  S108  1  0.500000  0.918486  0.610745  1
  S  S109  1  0.083610  0.041382  0.610499  1
  S  S110  1  0.167363  0.166370  0.611619  1
  S  S111  1  0.251103  0.290849  0.611086  1
  S  S112  1  0.333010  0.416429  0.612121  1
  S  S113  1  0.416300  0.542088  0.610239  1
  S  S114  1  0.500000  0.667091  0.611032  1
  S  S115  1  0.582382  0.792777  0.610880  1
  S  S116  1  0.664850  0.917956  0.612260  1
  S  S117  1  0.250805  0.042421  0.611121  1
  S  S118  1  0.334410  0.166647  0.610659  1
  S  S119  1  0.418502  0.291713  0.609639  1
  S  S120  1  0.500000  0.417136  0.609952  1
  S  S121  1  0.583699  0.542088  0.610239  1
  S  S122  1  0.666818  0.667082  0.610269  1
  S  S123  1  0.746837  0.793312  0.611302  1
  S  S124  1  0.830521  0.918390  0.611275  1
  S  S125  1  0.416673  0.044391  0.609286  1
  S  S126  1  0.500000  0.166762  0.624438  1
  S  S127  1  0.581499  0.291714  0.609639  1
  S  S128  1  0.666991  0.416429  0.612121  1
  S  S129  1  0.750224  0.541267  0.610300  1
  S  S130  1  0.833958  0.666681  0.609792  1
  S  S131  1  0.906315  0.796613  0.616215  1
  S  S132  1  0.000000  0.916120  0.609837  1
  S  S133  1  0.583327  0.044391  0.609286  1
  S  S134  1  0.665590  0.166647  0.610658  1
  S  S135  1  0.748897  0.290849  0.611085  1
  S  S136  1  0.832882  0.414772  0.610708  1
  S  S137  1  0.916373  0.537937  0.611338  1
  S  S138  1  0.000000  0.655744  0.616197  1
  S  S139  1  0.749195  0.042421  0.611120  1
  S  S140  1  0.832637  0.166370  0.611619  1
  S  S141  1  0.916137  0.290347  0.610328  1
  S  S142  1  0.000000  0.414170  0.611618  1
  S  S143  1  0.916390  0.041382  0.610500  1
  S  S144  1  0.000000  0.165616  0.610142  1
