# 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  0.791611  0.332819  1
  W  W2  1  0.002832  0.751055  0.505298  1
  W  W3  1  0.083333  0.872884  0.505242  1
  W  W4  1  0.000004  0.500479  0.500178  1
  W  W5  1  0.083333  0.626843  0.502256  1
  W  W6  1  0.163834  0.751055  0.505298  1
  W  W7  1  0.248066  0.874090  0.502125  1
  W  W8  1  0.000092  0.250170  0.499910  1
  W  W9  1  0.083333  0.375608  0.500098  1
  W  W10  1  0.166663  0.500479  0.500178  1
  W  W11  1  0.249936  0.625525  0.499889  1
  W  W12  1  0.332702  0.749854  0.499855  1
  W  W13  1  0.416449  0.874612  0.500048  1
  W  W14  1  0.000446  -0.000307  0.500013  1
  W  W15  1  0.083333  0.125266  0.499753  1
  W  W16  1  0.166575  0.250170  0.499910  1
  W  W17  1  0.249836  0.375325  0.499954  1
  W  W18  1  0.333143  0.500552  0.499704  1
  W  W19  1  0.416816  0.625027  0.499712  1
  W  W20  1  0.499786  0.749855  0.499700  1
  W  W21  1  0.583333  0.874666  0.499913  1
  W  W22  1  0.166221  -0.000307  0.500013  1
  W  W23  1  0.249569  0.124695  0.499715  1
  W  W24  1  0.333083  0.250031  0.499899  1
  W  W25  1  0.416511  0.375174  0.499962  1
  W  W26  1  0.499957  0.500176  0.499938  1
  W  W27  1  0.583333  0.625218  0.499879  1
  W  W28  1  0.666880  0.749855  0.499700  1
  W  W29  1  0.750217  0.874612  0.500048  1
  W  W30  1  0.332900  -0.000273  0.500152  1
  W  W31  1  0.416405  0.124698  0.499975  1
  W  W32  1  0.499820  0.249856  0.499987  1
  W  W33  1  0.583333  0.375118  0.500041  1
  W  W34  1  0.666709  0.500176  0.499938  1
  W  W35  1  0.749851  0.625027  0.499712  1
  W  W36  1  0.833965  0.749854  0.499855  1
  W  W37  1  0.918601  0.874090  0.502125  1
  W  W38  1  0.499637  -0.000540  0.500061  1
  W  W39  1  0.583333  0.124555  0.499984  1
  W  W40  1  0.666847  0.249856  0.499987  1
  W  W41  1  0.750155  0.375174  0.499962  1
  W  W42  1  0.833524  0.500552  0.499704  1
  W  W43  1  0.916731  0.625525  0.499889  1
  W  W44  1  0.667029  -0.000540  0.500061  1
  W  W45  1  0.750261  0.124698  0.499975  1
  W  W46  1  0.833583  0.250031  0.499899  1
  W  W47  1  0.916831  0.375325  0.499954  1
  W  W48  1  0.833766  -0.000273  0.500152  1
  W  W49  1  0.917097  0.124695  0.499715  1
  S  S50  1  0.165746  0.914467  0.391354  1
  S  S51  1  0.083333  0.543176  0.390507  1
  S  S52  1  0.164790  0.668370  0.391434  1
  S  S53  1  0.246988  0.792134  0.391374  1
  S  S54  1  0.331944  0.915816  0.390482  1
  S  S55  1  0.083333  0.292138  0.389431  1
  S  S56  1  0.166515  0.417233  0.389346  1
  S  S57  1  0.249608  0.542142  0.389103  1
  S  S58  1  0.333248  0.666777  0.389207  1
  S  S59  1  0.416243  0.791588  0.389049  1
  S  S60  1  0.499740  0.916238  0.389184  1
  S  S61  1  0.083333  0.041641  0.389413  1
  S  S62  1  0.166607  0.166779  0.389074  1
  S  S63  1  0.249817  0.291880  0.389300  1
  S  S64  1  0.333160  0.416965  0.389371  1
  S  S65  1  0.416623  0.541831  0.389056  1
  S  S66  1  0.500013  0.666734  0.388916  1
  S  S67  1  0.583333  0.791511  0.389010  1
  S  S68  1  0.666926  0.916238  0.389184  1
  S  S69  1  0.249726  0.041168  0.389176  1
  S  S70  1  0.333084  0.166482  0.389425  1
  S  S71  1  0.416493  0.291684  0.389477  1
  S  S72  1  0.499928  0.416791  0.389461  1
  S  S73  1  0.583333  0.541843  0.389335  1
  S  S74  1  0.666654  0.666734  0.388916  1
  S  S75  1  0.750424  0.791588  0.389049  1
  S  S76  1  0.834723  0.915816  0.390482  1
  S  S77  1  0.416341  0.041122  0.389433  1
  S  S78  1  0.499870  0.166338  0.389550  1
  S  S79  1  0.583333  0.291592  0.389650  1
  S  S80  1  0.666738  0.416791  0.389461  1
  S  S81  1  0.750044  0.541831  0.389056  1
  S  S82  1  0.833418  0.666777  0.389208  1
  S  S83  1  0.919679  0.792134  0.391374  1
  S  S84  1  0.000920  0.914467  0.391354  1
  S  S85  1  0.583333  0.041020  0.389592  1
  S  S86  1  0.666796  0.166338  0.389550  1
  S  S87  1  0.750173  0.291684  0.389477  1
  S  S88  1  0.833507  0.416965  0.389371  1
  S  S89  1  0.917059  0.542142  0.389103  1
  S  S90  1  0.001877  0.668370  0.391434  1
  S  S91  1  0.750326  0.041122  0.389433  1
  S  S92  1  0.833583  0.166482  0.389425  1
  S  S93  1  0.916850  0.291880  0.389300  1
  S  S94  1  0.000151  0.417233  0.389346  1
  S  S95  1  0.916941  0.041168  0.389176  1
  S  S96  1  0.000060  0.166779  0.389074  1
  S  S97  1  0.083333  0.791827  0.618098  1
  S  S98  1  0.165832  0.917198  0.613664  1
  S  S99  1  0.083333  0.542060  0.610982  1
  S  S100  1  0.167680  0.667104  0.613554  1
  S  S101  1  0.249888  0.790689  0.613402  1
  S  S102  1  0.333004  0.916334  0.610795  1
  S  S103  1  0.083333  0.291973  0.610571  1
  S  S104  1  0.166723  0.417132  0.610839  1
  S  S105  1  0.250081  0.542188  0.610853  1
  S  S106  1  0.333448  0.666731  0.610644  1
  S  S107  1  0.416319  0.791264  0.610742  1
  S  S108  1  0.499890  0.916134  0.610839  1
  S  S109  1  0.083333  0.041861  0.610700  1
  S  S110  1  0.166546  0.166686  0.610623  1
  S  S111  1  0.249807  0.291870  0.610556  1
  S  S112  1  0.333170  0.417110  0.610394  1
  S  S113  1  0.416569  0.541948  0.610638  1
  S  S114  1  0.499878  0.666733  0.610716  1
  S  S115  1  0.583333  0.791366  0.610557  1
  S  S116  1  0.666777  0.916134  0.610839  1
  S  S117  1  0.249497  0.041493  0.610851  1
  S  S118  1  0.332929  0.166467  0.610327  1
  S  S119  1  0.416448  0.291689  0.610440  1
  S  S120  1  0.499893  0.416830  0.610531  1
  S  S121  1  0.583333  0.541878  0.610588  1
  S  S122  1  0.666789  0.666733  0.610716  1
  S  S123  1  0.750347  0.791264  0.610742  1
  S  S124  1  0.833662  0.916334  0.610795  1
  S  S125  1  0.416311  0.041300  0.610705  1
  S  S126  1  0.499858  0.166347  0.610418  1
  S  S127  1  0.583333  0.291574  0.610367  1
  S  S128  1  0.666774  0.416830  0.610531  1
  S  S129  1  0.750098  0.541948  0.610638  1
  S  S130  1  0.833219  0.666731  0.610644  1
  S  S131  1  0.916779  0.790689  0.613402  1
  S  S132  1  0.000835  0.917198  0.613664  1
  S  S133  1  0.583333  0.041123  0.610454  1
  S  S134  1  0.666809  0.166347  0.610418  1
  S  S135  1  0.750219  0.291689  0.610440  1
  S  S136  1  0.833497  0.417110  0.610394  1
  S  S137  1  0.916586  0.542188  0.610853  1
  S  S138  1  -0.001013  0.667104  0.613554  1
  S  S139  1  0.750356  0.041300  0.610705  1
  S  S140  1  0.833737  0.166467  0.610327  1
  S  S141  1  0.916860  0.291870  0.610556  1
  S  S142  1  -0.000056  0.417132  0.610839  1
  S  S143  1  0.917170  0.041493  0.610851  1
  S  S144  1  0.000121  0.166686  0.610623  1
