# generated using pymatgen
data_CoW47S96
_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   CoW47S96
_chemical_formula_sum   'Co1 W47 S96'
_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
  Co  Co1  1  -0.000000  0.749872  0.500000  1
  W  W2  1  0.084688  0.876378  0.500000  1
  W  W3  1  -0.000000  0.498988  0.500001  1
  W  W4  1  0.083992  0.623233  0.500000  1
  W  W5  1  0.168598  0.750377  0.500000  1
  W  W6  1  0.250755  0.875502  0.500000  1
  W  W7  1  0.000000  0.249258  0.500000  1
  W  W8  1  0.083312  0.374124  0.500000  1
  W  W9  1  0.166136  0.499316  0.500000  1
  W  W10  1  0.249540  0.625285  0.500000  1
  W  W11  1  0.333606  0.750849  0.500000  1
  W  W12  1  0.417017  0.875551  0.500000  1
  W  W13  1  0.000000  -0.000592  0.500000  1
  W  W14  1  0.083495  0.124522  0.500000  1
  W  W15  1  0.166744  0.249492  0.500000  1
  W  W16  1  0.250004  0.374637  0.500000  1
  W  W17  1  0.333127  0.500079  0.500000  1
  W  W18  1  0.416644  0.625387  0.500000  1
  W  W19  1  0.500000  0.750464  0.500000  1
  W  W20  1  0.582983  0.875551  0.500000  1
  W  W21  1  0.167525  -0.000194  0.499999  1
  W  W22  1  0.250324  0.125048  0.499999  1
  W  W23  1  0.333408  0.249982  0.500000  1
  W  W24  1  0.416617  0.375202  0.500000  1
  W  W25  1  0.500000  0.500286  0.500000  1
  W  W26  1  0.583356  0.625387  0.500000  1
  W  W27  1  0.666394  0.750849  0.500000  1
  W  W28  1  0.749245  0.875502  0.500000  1
  W  W29  1  0.333868  0.000420  0.500000  1
  W  W30  1  0.416814  0.125332  0.499999  1
  W  W31  1  0.500000  0.250223  0.500000  1
  W  W32  1  0.583383  0.375202  0.500000  1
  W  W33  1  0.666873  0.500079  0.500000  1
  W  W34  1  0.750460  0.625285  0.500000  1
  W  W35  1  0.831402  0.750377  0.500000  1
  W  W36  1  0.915312  0.876378  0.500000  1
  W  W37  1  0.500000  0.000459  0.500000  1
  W  W38  1  0.583186  0.125332  0.500000  1
  W  W39  1  0.666592  0.249982  0.500000  1
  W  W40  1  0.749996  0.374637  0.500001  1
  W  W41  1  0.833864  0.499316  0.500001  1
  W  W42  1  0.916008  0.623233  0.500000  1
  W  W43  1  0.666132  0.000420  0.500000  1
  W  W44  1  0.749676  0.125048  0.500000  1
  W  W45  1  0.833256  0.249492  0.500001  1
  W  W46  1  0.916688  0.374124  0.500001  1
  W  W47  1  0.832475  -0.000194  0.500000  1
  W  W48  1  0.916505  0.124523  0.500000  1
  S  S49  1  0.083725  0.791916  0.391477  1
  S  S50  1  0.167667  0.916929  0.388738  1
  S  S51  1  0.083095  0.540636  0.388836  1
  S  S52  1  0.166083  0.666967  0.389813  1
  S  S53  1  0.250696  0.792361  0.388813  1
  S  S54  1  0.333894  0.917176  0.389273  1
  S  S55  1  0.083344  0.290911  0.389326  1
  S  S56  1  0.166529  0.416110  0.389385  1
  S  S57  1  0.249609  0.541701  0.389618  1
  S  S58  1  0.333141  0.667069  0.389606  1
  S  S59  1  0.416835  0.792176  0.389282  1
  S  S60  1  0.500000  0.917194  0.389172  1
  S  S61  1  0.083533  0.041176  0.389527  1
  S  S62  1  0.166736  0.166249  0.389350  1
  S  S63  1  0.249989  0.291376  0.389366  1
  S  S64  1  0.333191  0.416751  0.389445  1
  S  S65  1  0.416494  0.541965  0.389543  1
  S  S66  1  0.500000  0.667032  0.389433  1
  S  S67  1  0.583165  0.792176  0.389282  1
  S  S68  1  0.666106  0.917176  0.389273  1
  S  S69  1  0.250422  0.041773  0.389301  1
  S  S70  1  0.333497  0.166791  0.389288  1
  S  S71  1  0.416646  0.291883  0.389408  1
  S  S72  1  0.500000  0.416924  0.389440  1
  S  S73  1  0.583506  0.541965  0.389543  1
  S  S74  1  0.666859  0.667069  0.389606  1
  S  S75  1  0.749304  0.792361  0.388813  1
  S  S76  1  0.832333  0.916929  0.388738  1
  S  S77  1  0.416875  0.042119  0.389207  1
  S  S78  1  0.500000  0.166988  0.389292  1
  S  S79  1  0.583354  0.291883  0.389408  1
  S  S80  1  0.666809  0.416751  0.389444  1
  S  S81  1  0.750391  0.541701  0.389617  1
  S  S82  1  0.833917  0.666967  0.389813  1
  S  S83  1  0.916275  0.791916  0.391477  1
  S  S84  1  -0.000000  0.916046  0.389779  1
  S  S85  1  0.583125  0.042118  0.389208  1
  S  S86  1  0.666503  0.166791  0.389288  1
  S  S87  1  0.750011  0.291376  0.389366  1
  S  S88  1  0.833471  0.416110  0.389385  1
  S  S89  1  0.916905  0.540636  0.388836  1
  S  S90  1  0.000000  0.666116  0.391483  1
  S  S91  1  0.749578  0.041773  0.389301  1
  S  S92  1  0.833264  0.166249  0.389350  1
  S  S93  1  0.916656  0.290911  0.389326  1
  S  S94  1  0.000000  0.415702  0.389359  1
  S  S95  1  0.916467  0.041176  0.389527  1
  S  S96  1  0.000000  0.165943  0.389433  1
  S  S97  1  0.083725  0.791916  0.608523  1
  S  S98  1  0.167667  0.916929  0.611262  1
  S  S99  1  0.083095  0.540636  0.611164  1
  S  S100  1  0.166083  0.666967  0.610187  1
  S  S101  1  0.250696  0.792361  0.611187  1
  S  S102  1  0.333894  0.917176  0.610727  1
  S  S103  1  0.083344  0.290911  0.610674  1
  S  S104  1  0.166529  0.416110  0.610615  1
  S  S105  1  0.249609  0.541701  0.610382  1
  S  S106  1  0.333141  0.667069  0.610394  1
  S  S107  1  0.416835  0.792176  0.610719  1
  S  S108  1  0.500000  0.917194  0.610828  1
  S  S109  1  0.083533  0.041176  0.610474  1
  S  S110  1  0.166736  0.166249  0.610650  1
  S  S111  1  0.249989  0.291376  0.610634  1
  S  S112  1  0.333191  0.416751  0.610556  1
  S  S113  1  0.416494  0.541965  0.610457  1
  S  S114  1  0.500000  0.667032  0.610567  1
  S  S115  1  0.583165  0.792176  0.610719  1
  S  S116  1  0.666106  0.917176  0.610727  1
  S  S117  1  0.250422  0.041772  0.610699  1
  S  S118  1  0.333497  0.166791  0.610712  1
  S  S119  1  0.416646  0.291884  0.610592  1
  S  S120  1  0.500000  0.416924  0.610560  1
  S  S121  1  0.583506  0.541965  0.610457  1
  S  S122  1  0.666859  0.667069  0.610394  1
  S  S123  1  0.749304  0.792361  0.611187  1
  S  S124  1  0.832333  0.916929  0.611262  1
  S  S125  1  0.416874  0.042119  0.610791  1
  S  S126  1  0.500000  0.166988  0.610708  1
  S  S127  1  0.583354  0.291883  0.610592  1
  S  S128  1  0.666809  0.416751  0.610555  1
  S  S129  1  0.750391  0.541701  0.610382  1
  S  S130  1  0.833917  0.666967  0.610187  1
  S  S131  1  0.916275  0.791916  0.608523  1
  S  S132  1  0.000000  0.916046  0.610221  1
  S  S133  1  0.583125  0.042118  0.610793  1
  S  S134  1  0.666503  0.166791  0.610712  1
  S  S135  1  0.750011  0.291376  0.610634  1
  S  S136  1  0.833471  0.416110  0.610615  1
  S  S137  1  0.916905  0.540636  0.611164  1
  S  S138  1  -0.000000  0.666116  0.608517  1
  S  S139  1  0.749578  0.041773  0.610699  1
  S  S140  1  0.833264  0.166249  0.610650  1
  S  S141  1  0.916656  0.290911  0.610674  1
  S  S142  1  -0.000000  0.415702  0.610640  1
  S  S143  1  0.916467  0.041176  0.610474  1
  S  S144  1  -0.000000  0.165943  0.610567  1
