# 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  0.791729  0.336886  1
  W  W2  1  0.002161  0.750813  0.503675  1
  W  W3  1  0.083333  0.873259  0.503542  1
  W  W4  1  -0.000112  0.500235  0.500277  1
  W  W5  1  0.083333  0.626264  0.501851  1
  W  W6  1  0.164506  0.750813  0.503676  1
  W  W7  1  0.248757  0.874441  0.501780  1
  W  W8  1  0.000022  0.250196  0.499968  1
  W  W9  1  0.083333  0.375555  0.500046  1
  W  W10  1  0.166779  0.500235  0.500278  1
  W  W11  1  0.250199  0.625154  0.500155  1
  W  W12  1  0.333323  0.749740  0.500104  1
  W  W13  1  0.416704  0.874722  0.500190  1
  W  W14  1  0.000243  0.000134  0.500226  1
  W  W15  1  0.083333  0.125513  0.500059  1
  W  W16  1  0.166645  0.250196  0.499968  1
  W  W17  1  0.249805  0.375333  0.500016  1
  W  W18  1  0.333369  0.500208  0.499929  1
  W  W19  1  0.417083  0.624790  0.500053  1
  W  W20  1  0.499919  0.749791  0.499909  1
  W  W21  1  0.583333  0.874823  0.500020  1
  W  W22  1  0.166423  0.000134  0.500226  1
  W  W23  1  0.249776  0.125013  0.499937  1
  W  W24  1  0.333220  0.250146  0.499914  1
  W  W25  1  0.416708  0.375028  0.499966  1
  W  W26  1  0.499864  0.500016  0.500016  1
  W  W27  1  0.583333  0.624968  0.500003  1
  W  W28  1  0.666748  0.749791  0.499909  1
  W  W29  1  0.749963  0.874722  0.500190  1
  W  W30  1  0.333166  -0.000048  0.500279  1
  W  W31  1  0.416534  0.124727  0.500013  1
  W  W32  1  0.499798  0.249902  0.499952  1
  W  W33  1  0.583333  0.374990  0.500018  1
  W  W34  1  0.666803  0.500016  0.500016  1
  W  W35  1  0.749584  0.624790  0.500053  1
  W  W36  1  0.833344  0.749740  0.500104  1
  W  W37  1  0.917910  0.874441  0.501780  1
  W  W38  1  0.499724  -0.000366  0.499996  1
  W  W39  1  0.583333  0.124779  0.499949  1
  W  W40  1  0.666869  0.249902  0.499952  1
  W  W41  1  0.749959  0.375028  0.499966  1
  W  W42  1  0.833297  0.500208  0.499929  1
  W  W43  1  0.916467  0.625154  0.500155  1
  W  W44  1  0.666943  -0.000366  0.499996  1
  W  W45  1  0.750132  0.124727  0.500013  1
  W  W46  1  0.833447  0.250146  0.499914  1
  W  W47  1  0.916862  0.375333  0.500016  1
  W  W48  1  0.833500  -0.000048  0.500279  1
  W  W49  1  0.916890  0.125013  0.499937  1
  S  S50  1  0.166251  0.915657  0.391125  1
  S  S51  1  0.083333  0.542813  0.390387  1
  S  S52  1  0.165764  0.667459  0.391123  1
  S  S53  1  0.248547  0.791898  0.391232  1
  S  S54  1  0.332344  0.916054  0.390397  1
  S  S55  1  0.083334  0.292135  0.389431  1
  S  S56  1  0.166532  0.417105  0.389251  1
  S  S57  1  0.249881  0.541770  0.389314  1
  S  S58  1  0.333558  0.666542  0.389394  1
  S  S59  1  0.416650  0.791631  0.389254  1
  S  S60  1  0.499841  0.916422  0.389215  1
  S  S61  1  0.083333  0.041950  0.389510  1
  S  S62  1  0.166605  0.166865  0.389178  1
  S  S63  1  0.249934  0.291900  0.389302  1
  S  S64  1  0.333284  0.416852  0.389359  1
  S  S65  1  0.416717  0.541676  0.389097  1
  S  S66  1  0.500062  0.666566  0.389077  1
  S  S67  1  0.583333  0.791465  0.389202  1
  S  S68  1  0.666825  0.916422  0.389215  1
  S  S69  1  0.250008  0.041547  0.389403  1
  S  S70  1  0.333197  0.166602  0.389401  1
  S  S71  1  0.416556  0.291705  0.389282  1
  S  S72  1  0.500000  0.416675  0.389334  1
  S  S73  1  0.583333  0.541618  0.389384  1
  S  S74  1  0.666604  0.666566  0.389077  1
  S  S75  1  0.750017  0.791631  0.389254  1
  S  S76  1  0.834322  0.916054  0.390397  1
  S  S77  1  0.416453  0.041335  0.389312  1
  S  S78  1  0.499919  0.166467  0.389418  1
  S  S79  1  0.583333  0.291549  0.389533  1
  S  S80  1  0.666667  0.416675  0.389334  1
  S  S81  1  0.749949  0.541676  0.389097  1
  S  S82  1  0.833108  0.666542  0.389393  1
  S  S83  1  0.918120  0.791898  0.391232  1
  S  S84  1  0.000416  0.915657  0.391125  1
  S  S85  1  0.583333  0.041207  0.389473  1
  S  S86  1  0.666747  0.166467  0.389418  1
  S  S87  1  0.750110  0.291705  0.389282  1
  S  S88  1  0.833383  0.416852  0.389359  1
  S  S89  1  0.916785  0.541770  0.389314  1
  S  S90  1  0.000903  0.667459  0.391123  1
  S  S91  1  0.750214  0.041335  0.389313  1
  S  S92  1  0.833469  0.166602  0.389401  1
  S  S93  1  0.916733  0.291900  0.389302  1
  S  S94  1  0.000134  0.417105  0.389251  1
  S  S95  1  0.916659  0.041547  0.389403  1
  S  S96  1  0.000061  0.166865  0.389178  1
  S  S97  1  0.083333  0.791765  0.615390  1
  S  S98  1  0.165947  0.917270  0.612678  1
  S  S99  1  0.083333  0.541928  0.611052  1
  S  S100  1  0.167667  0.666951  0.612711  1
  S  S101  1  0.250111  0.790769  0.612527  1
  S  S102  1  0.333206  0.916459  0.610952  1
  S  S103  1  0.083333  0.292029  0.610554  1
  S  S104  1  0.166697  0.416969  0.610992  1
  S  S105  1  0.250154  0.541731  0.610981  1
  S  S106  1  0.333721  0.666492  0.610767  1
  S  S107  1  0.416767  0.791468  0.610958  1
  S  S108  1  0.500007  0.916397  0.610921  1
  S  S109  1  0.083333  0.042117  0.610800  1
  S  S110  1  0.166624  0.166887  0.610851  1
  S  S111  1  0.249946  0.291882  0.610606  1
  S  S112  1  0.333304  0.416864  0.610552  1
  S  S113  1  0.416713  0.541681  0.610950  1
  S  S114  1  0.500044  0.666579  0.610950  1
  S  S115  1  0.583333  0.791423  0.610657  1
  S  S116  1  0.666660  0.916397  0.610921  1
  S  S117  1  0.249943  0.041787  0.610955  1
  S  S118  1  0.333170  0.166642  0.610474  1
  S  S119  1  0.416540  0.291695  0.610623  1
  S  S120  1  0.499983  0.416662  0.610669  1
  S  S121  1  0.583333  0.541619  0.610684  1
  S  S122  1  0.666622  0.666579  0.610950  1
  S  S123  1  0.749900  0.791468  0.610958  1
  S  S124  1  0.833461  0.916459  0.610952  1
  S  S125  1  0.416538  0.041495  0.610894  1
  S  S126  1  0.499968  0.166474  0.610517  1
  S  S127  1  0.583333  0.291525  0.610452  1
  S  S128  1  0.666683  0.416662  0.610669  1
  S  S129  1  0.749953  0.541681  0.610950  1
  S  S130  1  0.832945  0.666492  0.610767  1
  S  S131  1  0.916556  0.790769  0.612527  1
  S  S132  1  0.000720  0.917270  0.612678  1
  S  S133  1  0.583333  0.041298  0.610419  1
  S  S134  1  0.666699  0.166474  0.610517  1
  S  S135  1  0.750126  0.291695  0.610623  1
  S  S136  1  0.833362  0.416864  0.610552  1
  S  S137  1  0.916513  0.541731  0.610981  1
  S  S138  1  -0.001000  0.666951  0.612711  1
  S  S139  1  0.750128  0.041495  0.610894  1
  S  S140  1  0.833497  0.166642  0.610473  1
  S  S141  1  0.916721  0.291881  0.610605  1
  S  S142  1  -0.000031  0.416970  0.610992  1
  S  S143  1  0.916724  0.041787  0.610955  1
  S  S144  1  0.000043  0.166888  0.610851  1
