# 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  0.744950  0.500000  1
  W  W2  1  0.083140  0.875958  0.499998  1
  W  W3  1  0.000000  0.498764  0.499996  1
  W  W4  1  0.082127  0.623432  0.499998  1
  W  W5  1  0.166322  0.751820  0.499999  1
  W  W6  1  0.250366  0.875391  0.499996  1
  W  W7  1  0.000000  0.249771  0.499995  1
  W  W8  1  0.083394  0.374534  0.499995  1
  W  W9  1  0.167007  0.499475  0.499996  1
  W  W10  1  0.249352  0.625389  0.499996  1
  W  W11  1  0.333389  0.750150  0.499996  1
  W  W12  1  0.416767  0.875275  0.499995  1
  W  W13  1  0.000000  0.000164  0.499996  1
  W  W14  1  0.083383  0.125016  0.499996  1
  W  W15  1  0.166782  0.249884  0.499995  1
  W  W16  1  0.250148  0.374860  0.499995  1
  W  W17  1  0.333189  0.500216  0.499995  1
  W  W18  1  0.416486  0.625217  0.499995  1
  W  W19  1  0.500000  0.750125  0.499995  1
  W  W20  1  0.583233  0.875275  0.499995  1
  W  W21  1  0.166912  0.000269  0.499996  1
  W  W22  1  0.250147  0.125123  0.499996  1
  W  W23  1  0.333412  0.250103  0.499995  1
  W  W24  1  0.416653  0.375218  0.499995  1
  W  W25  1  0.500000  0.500210  0.499995  1
  W  W26  1  0.583514  0.625217  0.499995  1
  W  W27  1  0.666611  0.750150  0.499996  1
  W  W28  1  0.749633  0.875391  0.499996  1
  W  W29  1  0.333480  0.000291  0.499996  1
  W  W30  1  0.416740  0.125254  0.499995  1
  W  W31  1  0.500000  0.250257  0.499995  1
  W  W32  1  0.583347  0.375218  0.499995  1
  W  W33  1  0.666811  0.500216  0.499995  1
  W  W34  1  0.750648  0.625389  0.499996  1
  W  W35  1  0.833677  0.751820  0.499999  1
  W  W36  1  0.916860  0.875958  0.499998  1
  W  W37  1  0.500000  0.000268  0.499995  1
  W  W38  1  0.583260  0.125254  0.499995  1
  W  W39  1  0.666588  0.250103  0.499995  1
  W  W40  1  0.749852  0.374860  0.499996  1
  W  W41  1  0.832993  0.499475  0.499996  1
  W  W42  1  0.917873  0.623432  0.499998  1
  W  W43  1  0.666520  0.000291  0.499996  1
  W  W44  1  0.749853  0.125123  0.499996  1
  W  W45  1  0.833218  0.249884  0.499995  1
  W  W46  1  0.916606  0.374534  0.499995  1
  W  W47  1  0.833088  0.000269  0.499996  1
  W  W48  1  0.916617  0.125016  0.499996  1
  S  S49  1  0.082397  0.791540  0.391544  1
  S  S50  1  0.166959  0.917001  0.389183  1
  S  S51  1  0.083466  0.540273  0.389288  1
  S  S52  1  0.165210  0.667317  0.390053  1
  S  S53  1  0.250356  0.792186  0.389206  1
  S  S54  1  0.333601  0.917032  0.389158  1
  S  S55  1  0.083393  0.291320  0.389192  1
  S  S56  1  0.166817  0.416223  0.389197  1
  S  S57  1  0.249833  0.541982  0.389247  1
  S  S58  1  0.332936  0.666845  0.389271  1
  S  S59  1  0.416721  0.791858  0.389282  1
  S  S60  1  0.500000  0.916941  0.389184  1
  S  S61  1  0.083434  0.041790  0.389190  1
  S  S62  1  0.166743  0.166621  0.389212  1
  S  S63  1  0.250088  0.291594  0.389197  1
  S  S64  1  0.333314  0.416851  0.389248  1
  S  S65  1  0.416594  0.541861  0.389294  1
  S  S66  1  0.500000  0.666771  0.389273  1
  S  S67  1  0.583279  0.791858  0.389282  1
  S  S68  1  0.666399  0.917032  0.389158  1
  S  S69  1  0.250160  0.041871  0.389158  1
  S  S70  1  0.333423  0.166822  0.389204  1
  S  S71  1  0.416674  0.291885  0.389248  1
  S  S72  1  0.500000  0.416873  0.389259  1
  S  S73  1  0.583406  0.541861  0.389294  1
  S  S74  1  0.667064  0.666846  0.389272  1
  S  S75  1  0.749644  0.792186  0.389206  1
  S  S76  1  0.833041  0.917001  0.389183  1
  S  S77  1  0.416754  0.041961  0.389201  1
  S  S78  1  0.500000  0.166952  0.389216  1
  S  S79  1  0.583326  0.291885  0.389248  1
  S  S80  1  0.666686  0.416851  0.389248  1
  S  S81  1  0.750167  0.541982  0.389247  1
  S  S82  1  0.834789  0.667317  0.390053  1
  S  S83  1  0.917602  0.791541  0.391544  1
  S  S84  1  -0.000000  0.916997  0.388976  1
  S  S85  1  0.583246  0.041961  0.389201  1
  S  S86  1  0.666577  0.166822  0.389204  1
  S  S87  1  0.749912  0.291594  0.389197  1
  S  S88  1  0.833183  0.416223  0.389197  1
  S  S89  1  0.916534  0.540273  0.389288  1
  S  S90  1  -0.000000  0.663344  0.388862  1
  S  S91  1  0.749840  0.041871  0.389158  1
  S  S92  1  0.833257  0.166622  0.389212  1
  S  S93  1  0.916607  0.291319  0.389192  1
  S  S94  1  0.000000  0.415788  0.389000  1
  S  S95  1  0.916566  0.041790  0.389190  1
  S  S96  1  0.000000  0.166548  0.389185  1
  S  S97  1  0.082397  0.791540  0.608458  1
  S  S98  1  0.166958  0.917001  0.610821  1
  S  S99  1  0.083466  0.540273  0.610715  1
  S  S100  1  0.165211  0.667317  0.609949  1
  S  S101  1  0.250356  0.792186  0.610797  1
  S  S102  1  0.333601  0.917032  0.610845  1
  S  S103  1  0.083393  0.291319  0.610812  1
  S  S104  1  0.166816  0.416222  0.610808  1
  S  S105  1  0.249833  0.541982  0.610755  1
  S  S106  1  0.332936  0.666845  0.610732  1
  S  S107  1  0.416721  0.791858  0.610722  1
  S  S108  1  0.500000  0.916941  0.610821  1
  S  S109  1  0.083434  0.041789  0.610815  1
  S  S110  1  0.166744  0.166622  0.610792  1
  S  S111  1  0.250088  0.291594  0.610807  1
  S  S112  1  0.333314  0.416851  0.610757  1
  S  S113  1  0.416594  0.541862  0.610711  1
  S  S114  1  0.500000  0.666771  0.610731  1
  S  S115  1  0.583279  0.791858  0.610722  1
  S  S116  1  0.666399  0.917032  0.610846  1
  S  S117  1  0.250161  0.041871  0.610846  1
  S  S118  1  0.333423  0.166823  0.610801  1
  S  S119  1  0.416674  0.291885  0.610757  1
  S  S120  1  0.500000  0.416874  0.610746  1
  S  S121  1  0.583406  0.541862  0.610711  1
  S  S122  1  0.667064  0.666845  0.610732  1
  S  S123  1  0.749644  0.792186  0.610798  1
  S  S124  1  0.833042  0.917002  0.610821  1
  S  S125  1  0.416755  0.041962  0.610804  1
  S  S126  1  0.500000  0.166952  0.610789  1
  S  S127  1  0.583326  0.291885  0.610757  1
  S  S128  1  0.666686  0.416851  0.610757  1
  S  S129  1  0.750167  0.541982  0.610755  1
  S  S130  1  0.834789  0.667317  0.609949  1
  S  S131  1  0.917602  0.791541  0.608458  1
  S  S132  1  -0.000000  0.916997  0.611026  1
  S  S133  1  0.583246  0.041962  0.610804  1
  S  S134  1  0.666577  0.166823  0.610801  1
  S  S135  1  0.749912  0.291594  0.610807  1
  S  S136  1  0.833184  0.416222  0.610808  1
  S  S137  1  0.916534  0.540273  0.610715  1
  S  S138  1  -0.000000  0.663345  0.611140  1
  S  S139  1  0.749839  0.041871  0.610847  1
  S  S140  1  0.833257  0.166622  0.610792  1
  S  S141  1  0.916607  0.291319  0.610812  1
  S  S142  1  -0.000000  0.415788  0.611005  1
  S  S143  1  0.916566  0.041789  0.610815  1
  S  S144  1  0.000000  0.166548  0.610822  1
