# generated using pymatgen
data_BiW48S95
_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   BiW48S95
_chemical_formula_sum   'Bi1 W48 S95'
_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
  Bi  Bi1  1  0.083333  0.793081  0.341343  1
  W  W2  1  0.001313  0.748368  0.500257  1
  W  W3  1  0.083333  0.876454  0.498625  1
  W  W4  1  -0.000107  0.499557  0.501057  1
  W  W5  1  0.083333  0.624647  0.500985  1
  W  W6  1  0.165354  0.748368  0.500257  1
  W  W7  1  0.249316  0.875645  0.499670  1
  W  W8  1  -0.000114  0.250121  0.500734  1
  W  W9  1  0.083333  0.374840  0.500841  1
  W  W10  1  0.166774  0.499557  0.501057  1
  W  W11  1  0.250022  0.624437  0.500835  1
  W  W12  1  0.332939  0.749933  0.499900  1
  W  W13  1  0.416502  0.874956  0.500054  1
  W  W14  1  -0.000112  0.000808  0.501077  1
  W  W15  1  0.083333  0.125491  0.501033  1
  W  W16  1  0.166781  0.250121  0.500733  1
  W  W17  1  0.250149  0.374870  0.500574  1
  W  W18  1  0.333455  0.499790  0.500542  1
  W  W19  1  0.416653  0.624900  0.500337  1
  W  W20  1  0.499820  0.750010  0.500097  1
  W  W21  1  0.583333  0.874942  0.500236  1
  W  W22  1  0.166779  0.000808  0.501077  1
  W  W23  1  0.250182  0.125304  0.500734  1
  W  W24  1  0.333561  0.250060  0.500294  1
  W  W25  1  0.416845  0.374959  0.500063  1
  W  W26  1  0.500030  0.500009  0.500201  1
  W  W27  1  0.583333  0.625067  0.500252  1
  W  W28  1  0.666847  0.750010  0.500097  1
  W  W29  1  0.750165  0.874956  0.500054  1
  W  W30  1  0.333395  0.000214  0.500484  1
  W  W31  1  0.416800  0.125036  0.500283  1
  W  W32  1  0.500106  0.249982  0.499849  1
  W  W33  1  0.583333  0.375029  0.499832  1
  W  W34  1  0.666637  0.500009  0.500201  1
  W  W35  1  0.750014  0.624900  0.500337  1
  W  W36  1  0.833728  0.749932  0.499900  1
  W  W37  1  0.917351  0.875645  0.499670  1
  W  W38  1  0.499985  -0.000046  0.500339  1
  W  W39  1  0.583333  0.124946  0.500139  1
  W  W40  1  0.666561  0.249982  0.499849  1
  W  W41  1  0.749821  0.374959  0.500064  1
  W  W42  1  0.833211  0.499790  0.500542  1
  W  W43  1  0.916644  0.624437  0.500835  1
  W  W44  1  0.666682  -0.000046  0.500339  1
  W  W45  1  0.749867  0.125036  0.500283  1
  W  W46  1  0.833106  0.250060  0.500294  1
  W  W47  1  0.916518  0.374870  0.500574  1
  W  W48  1  0.833272  0.000214  0.500484  1
  W  W49  1  0.916485  0.125304  0.500734  1
  S  S50  1  0.167041  0.918196  0.388817  1
  S  S51  1  0.083333  0.541138  0.390482  1
  S  S52  1  0.166321  0.665231  0.389533  1
  S  S53  1  0.248550  0.791782  0.389703  1
  S  S54  1  0.333323  0.916948  0.389494  1
  S  S55  1  0.083334  0.291655  0.389988  1
  S  S56  1  0.166636  0.416451  0.390046  1
  S  S57  1  0.249912  0.541168  0.390053  1
  S  S58  1  0.333116  0.666353  0.389732  1
  S  S59  1  0.416370  0.791634  0.389254  1
  S  S60  1  0.499984  0.916639  0.389505  1
  S  S61  1  0.083333  0.042402  0.390359  1
  S  S62  1  0.166705  0.166895  0.390071  1
  S  S63  1  0.250061  0.291650  0.389728  1
  S  S64  1  0.333334  0.416576  0.389598  1
  S  S65  1  0.416585  0.541586  0.389579  1
  S  S66  1  0.499908  0.666630  0.389511  1
  S  S67  1  0.583333  0.791635  0.389457  1
  S  S68  1  0.666682  0.916639  0.389505  1
  S  S69  1  0.250065  0.042113  0.389976  1
  S  S70  1  0.333417  0.166721  0.389643  1
  S  S71  1  0.416731  0.291669  0.389221  1
  S  S72  1  0.500004  0.416778  0.389194  1
  S  S73  1  0.583333  0.541761  0.389477  1
  S  S74  1  0.666758  0.666630  0.389511  1
  S  S75  1  0.750297  0.791634  0.389254  1
  S  S76  1  0.833343  0.916948  0.389494  1
  S  S77  1  0.416702  0.041684  0.389575  1
  S  S78  1  0.500050  0.166546  0.389267  1
  S  S79  1  0.583333  0.291687  0.388992  1
  S  S80  1  0.666662  0.416778  0.389195  1
  S  S81  1  0.750081  0.541586  0.389578  1
  S  S82  1  0.833551  0.666353  0.389732  1
  S  S83  1  0.918117  0.791782  0.389703  1
  S  S84  1  -0.000374  0.918196  0.388817  1
  S  S85  1  0.583333  0.041527  0.389555  1
  S  S86  1  0.666617  0.166546  0.389267  1
  S  S87  1  0.749935  0.291669  0.389221  1
  S  S88  1  0.833332  0.416576  0.389598  1
  S  S89  1  0.916754  0.541168  0.390054  1
  S  S90  1  0.000345  0.665230  0.389533  1
  S  S91  1  0.749964  0.041684  0.389575  1
  S  S92  1  0.833250  0.166721  0.389643  1
  S  S93  1  0.916606  0.291650  0.389728  1
  S  S94  1  0.000031  0.416451  0.390046  1
  S  S95  1  0.916601  0.042113  0.389976  1
  S  S96  1  -0.000039  0.166895  0.390071  1
  S  S97  1  0.083333  0.792265  0.607619  1
  S  S98  1  0.166720  0.916965  0.610818  1
  S  S99  1  0.083333  0.541210  0.611856  1
  S  S100  1  0.166937  0.666278  0.611899  1
  S  S101  1  0.248990  0.791554  0.610089  1
  S  S102  1  0.333017  0.916546  0.610662  1
  S  S103  1  0.083333  0.291599  0.611560  1
  S  S104  1  0.166836  0.416274  0.611644  1
  S  S105  1  0.250262  0.541214  0.611683  1
  S  S106  1  0.333348  0.666787  0.610940  1
  S  S107  1  0.416171  0.791565  0.610708  1
  S  S108  1  0.499866  0.916515  0.610941  1
  S  S109  1  0.083333  0.042258  0.611905  1
  S  S110  1  0.166903  0.166961  0.611668  1
  S  S111  1  0.250355  0.291627  0.611326  1
  S  S112  1  0.333669  0.416445  0.611146  1
  S  S113  1  0.416802  0.541605  0.611162  1
  S  S114  1  0.499945  0.666736  0.610988  1
  S  S115  1  0.583333  0.791564  0.610858  1
  S  S116  1  0.666801  0.916515  0.610941  1
  S  S117  1  0.250337  0.042029  0.611612  1
  S  S118  1  0.333706  0.166857  0.611224  1
  S  S119  1  0.417034  0.291679  0.610818  1
  S  S120  1  0.500157  0.416620  0.610792  1
  S  S121  1  0.583333  0.541707  0.610968  1
  S  S122  1  0.666721  0.666736  0.610988  1
  S  S123  1  0.750496  0.791565  0.610708  1
  S  S124  1  0.833649  0.916546  0.610662  1
  S  S125  1  0.416792  0.041732  0.611172  1
  S  S126  1  0.500151  0.166754  0.610850  1
  S  S127  1  0.583333  0.291696  0.610558  1
  S  S128  1  0.666510  0.416620  0.610792  1
  S  S129  1  0.749864  0.541605  0.611162  1
  S  S130  1  0.833318  0.666787  0.610940  1
  S  S131  1  0.917676  0.791554  0.610089  1
  S  S132  1  -0.000054  0.916965  0.610817  1
  S  S133  1  0.583333  0.041623  0.611032  1
  S  S134  1  0.666516  0.166753  0.610850  1
  S  S135  1  0.749633  0.291678  0.610818  1
  S  S136  1  0.832997  0.416445  0.611146  1
  S  S137  1  0.916405  0.541214  0.611683  1
  S  S138  1  -0.000270  0.666278  0.611899  1
  S  S139  1  0.749875  0.041732  0.611172  1
  S  S140  1  0.832961  0.166857  0.611225  1
  S  S141  1  0.916312  0.291627  0.611326  1
  S  S142  1  -0.000169  0.416274  0.611645  1
  S  S143  1  0.916329  0.042029  0.611612  1
  S  S144  1  -0.000236  0.166961  0.611668  1
