# 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  0.749878  0.500000  1
  W  W2  1  0.084736  0.876468  0.500000  1
  W  W3  1  0.000000  0.499067  0.500000  1
  W  W4  1  0.084072  0.623213  0.500000  1
  W  W5  1  0.168755  0.750366  0.500000  1
  W  W6  1  0.250804  0.875454  0.500001  1
  W  W7  1  0.000000  0.249317  0.500000  1
  W  W8  1  0.083340  0.374245  0.500000  1
  W  W9  1  0.165963  0.499418  0.500000  1
  W  W10  1  0.249375  0.625401  0.500000  1
  W  W11  1  0.333555  0.750879  0.500000  1
  W  W12  1  0.417063  0.875438  0.500000  1
  W  W13  1  0.000000  -0.000766  0.500000  1
  W  W14  1  0.083443  0.124521  0.500000  1
  W  W15  1  0.166688  0.249487  0.500000  1
  W  W16  1  0.249980  0.374731  0.500000  1
  W  W17  1  0.333130  0.500170  0.500000  1
  W  W18  1  0.416608  0.625397  0.500000  1
  W  W19  1  0.500000  0.750387  0.500000  1
  W  W20  1  0.582937  0.875438  0.500000  1
  W  W21  1  0.167566  -0.000322  0.500001  1
  W  W22  1  0.250236  0.125005  0.500000  1
  W  W23  1  0.333361  0.250004  0.500000  1
  W  W24  1  0.416494  0.375230  0.500000  1
  W  W25  1  0.500000  0.500416  0.500000  1
  W  W26  1  0.583392  0.625397  0.500000  1
  W  W27  1  0.666445  0.750879  0.500001  1
  W  W28  1  0.749196  0.875454  0.500001  1
  W  W29  1  0.333802  0.000321  0.500001  1
  W  W30  1  0.416875  0.125230  0.500000  1
  W  W31  1  0.500000  0.250134  0.500000  1
  W  W32  1  0.583506  0.375230  0.500000  1
  W  W33  1  0.666870  0.500170  0.500000  1
  W  W34  1  0.750625  0.625401  0.500000  1
  W  W35  1  0.831245  0.750366  0.500000  1
  W  W36  1  0.915264  0.876468  0.500001  1
  W  W37  1  0.500000  0.000267  0.500000  1
  W  W38  1  0.583125  0.125230  0.500000  1
  W  W39  1  0.666639  0.250004  0.500000  1
  W  W40  1  0.750020  0.374731  0.500000  1
  W  W41  1  0.834037  0.499418  0.500000  1
  W  W42  1  0.915928  0.623213  0.500000  1
  W  W43  1  0.666199  0.000322  0.500001  1
  W  W44  1  0.749764  0.125005  0.500000  1
  W  W45  1  0.833312  0.249487  0.500000  1
  W  W46  1  0.916660  0.374245  0.500000  1
  W  W47  1  0.832434  -0.000322  0.500001  1
  W  W48  1  0.916557  0.124521  0.500000  1
  S  S49  1  0.083818  0.791947  0.391541  1
  S  S50  1  0.167754  0.916885  0.388744  1
  S  S51  1  0.083012  0.540683  0.388813  1
  S  S52  1  0.166003  0.667032  0.389803  1
  S  S53  1  0.250757  0.792389  0.388794  1
  S  S54  1  0.333950  0.917105  0.389363  1
  S  S55  1  0.083328  0.290990  0.389439  1
  S  S56  1  0.166535  0.416200  0.389466  1
  S  S57  1  0.249548  0.541804  0.389746  1
  S  S58  1  0.333070  0.667061  0.389688  1
  S  S59  1  0.416865  0.792094  0.389349  1
  S  S60  1  0.500000  0.917067  0.389188  1
  S  S61  1  0.083480  0.041116  0.389657  1
  S  S62  1  0.166696  0.166233  0.389473  1
  S  S63  1  0.249927  0.291439  0.389519  1
  S  S64  1  0.333120  0.416827  0.389565  1
  S  S65  1  0.416476  0.542020  0.389608  1
  S  S66  1  0.500000  0.667006  0.389531  1
  S  S67  1  0.583135  0.792094  0.389350  1
  S  S68  1  0.666050  0.917105  0.389364  1
  S  S69  1  0.250406  0.041743  0.389381  1
  S  S70  1  0.333455  0.166719  0.389475  1
  S  S71  1  0.416666  0.291860  0.389560  1
  S  S72  1  0.500000  0.416963  0.389667  1
  S  S73  1  0.583524  0.542020  0.389608  1
  S  S74  1  0.666930  0.667061  0.389688  1
  S  S75  1  0.749243  0.792389  0.388794  1
  S  S76  1  0.832246  0.916885  0.388744  1
  S  S77  1  0.416886  0.041983  0.389350  1
  S  S78  1  0.500000  0.166916  0.389403  1
  S  S79  1  0.583334  0.291860  0.389560  1
  S  S80  1  0.666880  0.416827  0.389565  1
  S  S81  1  0.750452  0.541804  0.389746  1
  S  S82  1  0.833997  0.667032  0.389803  1
  S  S83  1  0.916182  0.791947  0.391541  1
  S  S84  1  0.000000  0.915947  0.389774  1
  S  S85  1  0.583114  0.041983  0.389350  1
  S  S86  1  0.666545  0.166719  0.389475  1
  S  S87  1  0.750073  0.291439  0.389519  1
  S  S88  1  0.833465  0.416200  0.389466  1
  S  S89  1  0.916988  0.540683  0.388813  1
  S  S90  1  0.000000  0.666089  0.391521  1
  S  S91  1  0.749594  0.041743  0.389381  1
  S  S92  1  0.833304  0.166233  0.389473  1
  S  S93  1  0.916672  0.290990  0.389439  1
  S  S94  1  0.000000  0.415764  0.389472  1
  S  S95  1  0.916520  0.041116  0.389657  1
  S  S96  1  0.000000  0.165995  0.389539  1
  S  S97  1  0.083818  0.791947  0.608458  1
  S  S98  1  0.167754  0.916885  0.611256  1
  S  S99  1  0.083012  0.540683  0.611186  1
  S  S100  1  0.166003  0.667032  0.610197  1
  S  S101  1  0.250757  0.792389  0.611206  1
  S  S102  1  0.333949  0.917106  0.610637  1
  S  S103  1  0.083328  0.290990  0.610560  1
  S  S104  1  0.166535  0.416200  0.610534  1
  S  S105  1  0.249548  0.541804  0.610254  1
  S  S106  1  0.333070  0.667061  0.610311  1
  S  S107  1  0.416865  0.792094  0.610650  1
  S  S108  1  0.500000  0.917067  0.610812  1
  S  S109  1  0.083480  0.041116  0.610343  1
  S  S110  1  0.166696  0.166233  0.610527  1
  S  S111  1  0.249927  0.291439  0.610481  1
  S  S112  1  0.333120  0.416827  0.610435  1
  S  S113  1  0.416476  0.542020  0.610391  1
  S  S114  1  0.500000  0.667006  0.610469  1
  S  S115  1  0.583135  0.792094  0.610650  1
  S  S116  1  0.666051  0.917106  0.610638  1
  S  S117  1  0.250406  0.041743  0.610619  1
  S  S118  1  0.333455  0.166719  0.610525  1
  S  S119  1  0.416666  0.291860  0.610440  1
  S  S120  1  0.500000  0.416963  0.610333  1
  S  S121  1  0.583524  0.542020  0.610391  1
  S  S122  1  0.666930  0.667061  0.610311  1
  S  S123  1  0.749243  0.792389  0.611206  1
  S  S124  1  0.832246  0.916885  0.611256  1
  S  S125  1  0.416886  0.041983  0.610650  1
  S  S126  1  0.500000  0.166916  0.610597  1
  S  S127  1  0.583334  0.291860  0.610440  1
  S  S128  1  0.666880  0.416827  0.610435  1
  S  S129  1  0.750452  0.541804  0.610254  1
  S  S130  1  0.833997  0.667032  0.610197  1
  S  S131  1  0.916182  0.791947  0.608458  1
  S  S132  1  0.000000  0.915947  0.610226  1
  S  S133  1  0.583114  0.041983  0.610650  1
  S  S134  1  0.666545  0.166719  0.610525  1
  S  S135  1  0.750073  0.291439  0.610481  1
  S  S136  1  0.833465  0.416200  0.610534  1
  S  S137  1  0.916988  0.540683  0.611186  1
  S  S138  1  0.000000  0.666089  0.608479  1
  S  S139  1  0.749594  0.041743  0.610619  1
  S  S140  1  0.833304  0.166233  0.610527  1
  S  S141  1  0.916672  0.290990  0.610560  1
  S  S142  1  0.000000  0.415764  0.610528  1
  S  S143  1  0.916520  0.041116  0.610343  1
  S  S144  1  0.000000  0.165995  0.610461  1
