# 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  0.791706  0.338504  1
  W  W2  1  0.001146  0.750550  0.502658  1
  W  W3  1  0.083333  0.873956  0.502633  1
  W  W4  1  -0.000101  0.500110  0.500383  1
  W  W5  1  0.083333  0.625903  0.501417  1
  W  W6  1  0.165521  0.750550  0.502658  1
  W  W7  1  0.249173  0.874585  0.501391  1
  W  W8  1  0.000003  0.250195  0.499978  1
  W  W9  1  0.083333  0.375355  0.500096  1
  W  W10  1  0.166768  0.500110  0.500383  1
  W  W11  1  0.250229  0.625018  0.500474  1
  W  W12  1  0.333478  0.749802  0.500467  1
  W  W13  1  0.416758  0.874823  0.500348  1
  W  W14  1  0.000114  0.000229  0.500476  1
  W  W15  1  0.083333  0.125461  0.500171  1
  W  W16  1  0.166663  0.250195  0.499978  1
  W  W17  1  0.249914  0.375181  0.500046  1
  W  W18  1  0.333421  0.500055  0.500068  1
  W  W19  1  0.416998  0.624781  0.500170  1
  W  W20  1  0.500024  0.749816  0.500072  1
  W  W21  1  0.583333  0.874899  0.500134  1
  W  W22  1  0.166553  0.000229  0.500476  1
  W  W23  1  0.249896  0.125120  0.500068  1
  W  W24  1  0.333292  0.250128  0.499913  1
  W  W25  1  0.416707  0.374958  0.499935  1
  W  W26  1  0.499970  0.499901  0.499981  1
  W  W27  1  0.583333  0.624895  0.500012  1
  W  W28  1  0.666643  0.749816  0.500072  1
  W  W29  1  0.749909  0.874823  0.500348  1
  W  W30  1  0.333256  0.000060  0.500381  1
  W  W31  1  0.416613  0.124874  0.500024  1
  W  W32  1  0.499901  0.249908  0.499891  1
  W  W33  1  0.583333  0.374941  0.499934  1
  W  W34  1  0.666697  0.499901  0.499981  1
  W  W35  1  0.749668  0.624781  0.500170  1
  W  W36  1  0.833189  0.749802  0.500467  1
  W  W37  1  0.917494  0.874585  0.501391  1
  W  W38  1  0.499860  -0.000197  0.500078  1
  W  W39  1  0.583333  0.124882  0.499913  1
  W  W40  1  0.666766  0.249908  0.499891  1
  W  W41  1  0.749960  0.374958  0.499935  1
  W  W42  1  0.833246  0.500055  0.500068  1
  W  W43  1  0.916438  0.625018  0.500474  1
  W  W44  1  0.666807  -0.000197  0.500078  1
  W  W45  1  0.750054  0.124874  0.500024  1
  W  W46  1  0.833375  0.250128  0.499913  1
  W  W47  1  0.916752  0.375181  0.500046  1
  W  W48  1  0.833411  0.000060  0.500381  1
  W  W49  1  0.916771  0.125120  0.500068  1
  S  S50  1  0.166514  0.916080  0.390776  1
  S  S51  1  0.083333  0.542383  0.390247  1
  S  S52  1  0.166117  0.667127  0.390763  1
  S  S53  1  0.249290  0.791857  0.390782  1
  S  S54  1  0.332738  0.916325  0.390253  1
  S  S55  1  0.083333  0.292018  0.389261  1
  S  S56  1  0.166605  0.416948  0.389284  1
  S  S57  1  0.249959  0.541699  0.389517  1
  S  S58  1  0.333555  0.666535  0.389642  1
  S  S59  1  0.416696  0.791628  0.389476  1
  S  S60  1  0.499907  0.916527  0.389300  1
  S  S61  1  0.083333  0.041968  0.389690  1
  S  S62  1  0.166649  0.166863  0.389190  1
  S  S63  1  0.249978  0.291845  0.389143  1
  S  S64  1  0.333325  0.416744  0.389250  1
  S  S65  1  0.416733  0.541592  0.389161  1
  S  S66  1  0.500058  0.666549  0.389156  1
  S  S67  1  0.583333  0.791542  0.389267  1
  S  S68  1  0.666759  0.916527  0.389300  1
  S  S69  1  0.250028  0.041675  0.389546  1
  S  S70  1  0.333275  0.166671  0.389269  1
  S  S71  1  0.416626  0.291664  0.389068  1
  S  S72  1  0.500005  0.416590  0.389121  1
  S  S73  1  0.583333  0.541554  0.389205  1
  S  S74  1  0.666609  0.666549  0.389156  1
  S  S75  1  0.749970  0.791628  0.389476  1
  S  S76  1  0.833929  0.916325  0.390253  1
  S  S77  1  0.416550  0.041485  0.389321  1
  S  S78  1  0.499946  0.166527  0.389157  1
  S  S79  1  0.583333  0.291555  0.389189  1
  S  S80  1  0.666661  0.416590  0.389121  1
  S  S81  1  0.749933  0.541592  0.389161  1
  S  S82  1  0.833112  0.666535  0.389642  1
  S  S83  1  0.917376  0.791857  0.390782  1
  S  S84  1  0.000152  0.916080  0.390776  1
  S  S85  1  0.583333  0.041390  0.389317  1
  S  S86  1  0.666721  0.166527  0.389157  1
  S  S87  1  0.750041  0.291664  0.389068  1
  S  S88  1  0.833341  0.416744  0.389250  1
  S  S89  1  0.916708  0.541699  0.389517  1
  S  S90  1  0.000549  0.667127  0.390763  1
  S  S91  1  0.750117  0.041485  0.389321  1
  S  S92  1  0.833392  0.166671  0.389269  1
  S  S93  1  0.916689  0.291845  0.389143  1
  S  S94  1  0.000061  0.416948  0.389284  1
  S  S95  1  0.916638  0.041675  0.389546  1
  S  S96  1  0.000018  0.166863  0.389190  1
  S  S97  1  0.083333  0.791715  0.613069  1
  S  S98  1  0.166163  0.917121  0.612327  1
  S  S99  1  0.083333  0.541829  0.611139  1
  S  S100  1  0.167359  0.666875  0.612355  1
  S  S101  1  0.250153  0.791056  0.612309  1
  S  S102  1  0.333293  0.916579  0.611085  1
  S  S103  1  0.083333  0.291913  0.610714  1
  S  S104  1  0.166714  0.416779  0.611063  1
  S  S105  1  0.250191  0.541579  0.611172  1
  S  S106  1  0.333764  0.666447  0.611064  1
  S  S107  1  0.416902  0.791527  0.611127  1
  S  S108  1  0.500056  0.916558  0.611044  1
  S  S109  1  0.083333  0.042165  0.611052  1
  S  S110  1  0.166675  0.166968  0.610955  1
  S  S111  1  0.249998  0.291803  0.610760  1
  S  S112  1  0.333392  0.416677  0.610758  1
  S  S113  1  0.416819  0.541535  0.611007  1
  S  S114  1  0.500124  0.666518  0.610994  1
  S  S115  1  0.583333  0.791510  0.610851  1
  S  S116  1  0.666611  0.916558  0.611044  1
  S  S117  1  0.250027  0.041908  0.611146  1
  S  S118  1  0.333314  0.166760  0.610714  1
  S  S119  1  0.416650  0.291648  0.610737  1
  S  S120  1  0.500021  0.416555  0.610768  1
  S  S121  1  0.583333  0.541526  0.610769  1
  S  S122  1  0.666543  0.666518  0.610994  1
  S  S123  1  0.749765  0.791527  0.611127  1
  S  S124  1  0.833374  0.916579  0.611085  1
  S  S125  1  0.416671  0.041654  0.611009  1
  S  S126  1  0.500025  0.166580  0.610697  1
  S  S127  1  0.583333  0.291535  0.610609  1
  S  S128  1  0.666646  0.416555  0.610768  1
  S  S129  1  0.749847  0.541535  0.611007  1
  S  S130  1  0.832903  0.666447  0.611064  1
  S  S131  1  0.916513  0.791056  0.612309  1
  S  S132  1  0.000504  0.917121  0.612327  1
  S  S133  1  0.583333  0.041523  0.610671  1
  S  S134  1  0.666641  0.166580  0.610697  1
  S  S135  1  0.750017  0.291648  0.610737  1
  S  S136  1  0.833275  0.416677  0.610758  1
  S  S137  1  0.916476  0.541579  0.611172  1
  S  S138  1  -0.000693  0.666875  0.612355  1
  S  S139  1  0.749996  0.041654  0.611009  1
  S  S140  1  0.833353  0.166760  0.610714  1
  S  S141  1  0.916668  0.291803  0.610760  1
  S  S142  1  -0.000048  0.416779  0.611063  1
  S  S143  1  0.916640  0.041908  0.611146  1
  S  S144  1  -0.000008  0.166968  0.610955  1
