# 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  0.791703  0.334444  1
  W  W2  1  0.002662  0.751040  0.504736  1
  W  W3  1  0.083333  0.872912  0.504666  1
  W  W4  1  -0.000048  0.500440  0.500225  1
  W  W5  1  0.083333  0.626669  0.502190  1
  W  W6  1  0.164005  0.751040  0.504736  1
  W  W7  1  0.248299  0.874200  0.502049  1
  W  W8  1  0.000094  0.250197  0.499933  1
  W  W9  1  0.083333  0.375653  0.500100  1
  W  W10  1  0.166715  0.500440  0.500225  1
  W  W11  1  0.250026  0.625424  0.499977  1
  W  W12  1  0.332942  0.749798  0.499923  1
  W  W13  1  0.416548  0.874605  0.500097  1
  W  W14  1  0.000397  -0.000151  0.500064  1
  W  W15  1  0.083333  0.125404  0.499869  1
  W  W16  1  0.166573  0.250197  0.499933  1
  W  W17  1  0.249782  0.375384  0.499991  1
  W  W18  1  0.333219  0.500452  0.499788  1
  W  W19  1  0.416960  0.624951  0.499840  1
  W  W20  1  0.499810  0.749805  0.499763  1
  W  W21  1  0.583333  0.874682  0.499975  1
  W  W22  1  0.166270  -0.000151  0.500064  1
  W  W23  1  0.249621  0.124801  0.499784  1
  W  W24  1  0.333088  0.250089  0.499890  1
  W  W25  1  0.416586  0.375136  0.499954  1
  W  W26  1  0.499881  0.500161  0.499955  1
  W  W27  1  0.583333  0.625113  0.499908  1
  W  W28  1  0.666857  0.749805  0.499763  1
  W  W29  1  0.750119  0.874605  0.500097  1
  W  W30  1  0.332977  -0.000214  0.500181  1
  W  W31  1  0.416417  0.124636  0.499985  1
  W  W32  1  0.499784  0.249845  0.499960  1
  W  W33  1  0.583333  0.375071  0.500023  1
  W  W34  1  0.666786  0.500161  0.499955  1
  W  W35  1  0.749707  0.624951  0.499840  1
  W  W36  1  0.833725  0.749798  0.499923  1
  W  W37  1  0.918368  0.874201  0.502049  1
  W  W38  1  0.499651  -0.000553  0.500052  1
  W  W39  1  0.583333  0.124579  0.499978  1
  W  W40  1  0.666882  0.249845  0.499959  1
  W  W41  1  0.750080  0.375136  0.499954  1
  W  W42  1  0.833448  0.500452  0.499788  1
  W  W43  1  0.916641  0.625424  0.499977  1
  W  W44  1  0.667016  -0.000553  0.500052  1
  W  W45  1  0.750249  0.124636  0.499985  1
  W  W46  1  0.833578  0.250089  0.499890  1
  W  W47  1  0.916885  0.375384  0.499991  1
  W  W48  1  0.833690  -0.000214  0.500181  1
  W  W49  1  0.917046  0.124801  0.499784  1
  S  S50  1  0.165929  0.914917  0.391329  1
  S  S51  1  0.083333  0.543123  0.390488  1
  S  S52  1  0.165156  0.668051  0.391398  1
  S  S53  1  0.247594  0.792039  0.391380  1
  S  S54  1  0.332053  0.915855  0.390464  1
  S  S55  1  0.083333  0.292210  0.389480  1
  S  S56  1  0.166500  0.417245  0.389354  1
  S  S57  1  0.249702  0.542032  0.389211  1
  S  S58  1  0.333368  0.666691  0.389257  1
  S  S59  1  0.416409  0.791592  0.389107  1
  S  S60  1  0.499774  0.916252  0.389228  1
  S  S61  1  0.083333  0.041776  0.389431  1
  S  S62  1  0.166585  0.166831  0.389131  1
  S  S63  1  0.249830  0.291929  0.389355  1
  S  S64  1  0.333181  0.416963  0.389438  1
  S  S65  1  0.416653  0.541802  0.389083  1
  S  S66  1  0.500029  0.666660  0.388952  1
  S  S67  1  0.583333  0.791453  0.389107  1
  S  S68  1  0.666893  0.916252  0.389228  1
  S  S69  1  0.249826  0.041291  0.389282  1
  S  S70  1  0.333094  0.166506  0.389481  1
  S  S71  1  0.416485  0.291698  0.389476  1
  S  S72  1  0.499953  0.416773  0.389486  1
  S  S73  1  0.583333  0.541770  0.389385  1
  S  S74  1  0.666638  0.666660  0.388952  1
  S  S75  1  0.750258  0.791592  0.389107  1
  S  S76  1  0.834614  0.915855  0.390464  1
  S  S77  1  0.416373  0.041144  0.389430  1
  S  S78  1  0.499877  0.166325  0.389591  1
  S  S79  1  0.583333  0.291562  0.389708  1
  S  S80  1  0.666714  0.416773  0.389486  1
  S  S81  1  0.750014  0.541801  0.389083  1
  S  S82  1  0.833298  0.666691  0.389257  1
  S  S83  1  0.919073  0.792039  0.391379  1
  S  S84  1  0.000737  0.914917  0.391329  1
  S  S85  1  0.583333  0.040992  0.389632  1
  S  S86  1  0.666790  0.166325  0.389591  1
  S  S87  1  0.750182  0.291698  0.389475  1
  S  S88  1  0.833486  0.416963  0.389438  1
  S  S89  1  0.916965  0.542032  0.389211  1
  S  S90  1  0.001510  0.668052  0.391398  1
  S  S91  1  0.750294  0.041144  0.389430  1
  S  S92  1  0.833572  0.166506  0.389481  1
  S  S93  1  0.916837  0.291929  0.389355  1
  S  S94  1  0.000166  0.417245  0.389354  1
  S  S95  1  0.916841  0.041291  0.389282  1
  S  S96  1  0.000082  0.166831  0.389131  1
  S  S97  1  0.083333  0.791805  0.617254  1
  S  S98  1  0.165828  0.917227  0.613273  1
  S  S99  1  0.083333  0.542061  0.611041  1
  S  S100  1  0.167702  0.667107  0.613237  1
  S  S101  1  0.249979  0.790680  0.613047  1
  S  S102  1  0.333070  0.916341  0.610849  1
  S  S103  1  0.083333  0.292048  0.610494  1
  S  S104  1  0.166701  0.417130  0.610881  1
  S  S105  1  0.250095  0.542054  0.610880  1
  S  S106  1  0.333555  0.666656  0.610644  1
  S  S107  1  0.416497  0.791323  0.610788  1
  S  S108  1  0.499913  0.916166  0.610848  1
  S  S109  1  0.083333  0.041965  0.610685  1
  S  S110  1  0.166559  0.166783  0.610660  1
  S  S111  1  0.249827  0.291899  0.610492  1
  S  S112  1  0.333198  0.417057  0.610385  1
  S  S113  1  0.416618  0.541883  0.610732  1
  S  S114  1  0.499946  0.666674  0.610765  1
  S  S115  1  0.583333  0.791338  0.610530  1
  S  S116  1  0.666753  0.916166  0.610848  1
  S  S117  1  0.249655  0.041573  0.610839  1
  S  S118  1  0.332982  0.166514  0.610296  1
  S  S119  1  0.416447  0.291692  0.610407  1
  S  S120  1  0.499923  0.416794  0.610498  1
  S  S121  1  0.583333  0.541807  0.610550  1
  S  S122  1  0.666721  0.666674  0.610765  1
  S  S123  1  0.750170  0.791323  0.610788  1
  S  S124  1  0.833596  0.916341  0.610849  1
  S  S125  1  0.416364  0.041312  0.610745  1
  S  S126  1  0.499886  0.166346  0.610358  1
  S  S127  1  0.583333  0.291533  0.610271  1
  S  S128  1  0.666744  0.416794  0.610498  1
  S  S129  1  0.750049  0.541883  0.610732  1
  S  S130  1  0.833111  0.666657  0.610644  1
  S  S131  1  0.916688  0.790679  0.613046  1
  S  S132  1  0.000839  0.917227  0.613273  1
  S  S133  1  0.583333  0.041095  0.610380  1
  S  S134  1  0.666781  0.166346  0.610358  1
  S  S135  1  0.750219  0.291692  0.610407  1
  S  S136  1  0.833469  0.417057  0.610386  1
  S  S137  1  0.916572  0.542054  0.610881  1
  S  S138  1  -0.001035  0.667107  0.613237  1
  S  S139  1  0.750303  0.041312  0.610745  1
  S  S140  1  0.833685  0.166514  0.610296  1
  S  S141  1  0.916839  0.291899  0.610492  1
  S  S142  1  -0.000034  0.417131  0.610882  1
  S  S143  1  0.917012  0.041573  0.610839  1
  S  S144  1  0.000108  0.166783  0.610660  1
