# generated using pymatgen
data_CoW48S95
_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   CoW48S95
_chemical_formula_sum   'Co1 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
  Co  Co1  1  0.083333  0.788205  0.378285  1
  W  W2  1  0.001699  0.750842  0.507836  1
  W  W3  1  0.083333  0.873271  0.506593  1
  W  W4  1  -0.000008  0.500565  0.500254  1
  W  W5  1  0.083333  0.625855  0.503747  1
  W  W6  1  0.164968  0.750842  0.507836  1
  W  W7  1  0.248955  0.874521  0.503236  1
  W  W8  1  0.000065  0.250004  0.498997  1
  W  W9  1  0.083333  0.375263  0.499355  1
  W  W10  1  0.166675  0.500565  0.500254  1
  W  W11  1  0.249346  0.625765  0.500676  1
  W  W12  1  0.332498  0.750174  0.500603  1
  W  W13  1  0.416308  0.874749  0.499893  1
  W  W14  1  0.000425  -0.000914  0.500701  1
  W  W15  1  0.083333  0.124632  0.499261  1
  W  W16  1  0.166601  0.250004  0.498997  1
  W  W17  1  0.249910  0.375276  0.499101  1
  W  W18  1  0.333106  0.500466  0.498967  1
  W  W19  1  0.416348  0.625319  0.498733  1
  W  W20  1  0.499766  0.749985  0.498559  1
  W  W21  1  0.583333  0.874831  0.498952  1
  W  W22  1  0.166242  -0.000914  0.500701  1
  W  W23  1  0.249708  0.124623  0.499291  1
  W  W24  1  0.333154  0.249924  0.499084  1
  W  W25  1  0.416530  0.375253  0.498847  1
  W  W26  1  0.499941  0.500305  0.498444  1
  W  W27  1  0.583333  0.625214  0.498188  1
  W  W28  1  0.666900  0.749985  0.498559  1
  W  W29  1  0.750358  0.874749  0.499893  1
  W  W30  1  0.332864  -0.000281  0.500186  1
  W  W31  1  0.416456  0.124786  0.499380  1
  W  W32  1  0.499931  0.250007  0.499155  1
  W  W33  1  0.583333  0.375167  0.498773  1
  W  W34  1  0.666726  0.500305  0.498444  1
  W  W35  1  0.750319  0.625319  0.498732  1
  W  W36  1  0.834168  0.750174  0.500603  1
  W  W37  1  0.917711  0.874521  0.503236  1
  W  W38  1  0.499857  -0.000255  0.499505  1
  W  W39  1  0.583333  0.124803  0.499426  1
  W  W40  1  0.666735  0.250007  0.499155  1
  W  W41  1  0.750137  0.375253  0.498848  1
  W  W42  1  0.833561  0.500466  0.498968  1
  W  W43  1  0.917321  0.625765  0.500677  1
  W  W44  1  0.666809  -0.000255  0.499505  1
  W  W45  1  0.750210  0.124786  0.499380  1
  W  W46  1  0.833512  0.249924  0.499084  1
  W  W47  1  0.916757  0.375275  0.499102  1
  W  W48  1  0.833803  -0.000281  0.500186  1
  W  W49  1  0.916959  0.124623  0.499292  1
  S  S50  1  0.164958  0.913435  0.392179  1
  S  S51  1  0.083333  0.543131  0.390778  1
  S  S52  1  0.163860  0.669524  0.392720  1
  S  S53  1  0.246012  0.792067  0.392778  1
  S  S54  1  0.331869  0.915951  0.390551  1
  S  S55  1  0.083334  0.291885  0.388419  1
  S  S56  1  0.166511  0.417437  0.388887  1
  S  S57  1  0.249267  0.542788  0.389147  1
  S  S58  1  0.332186  0.667261  0.389099  1
  S  S59  1  0.415406  0.791690  0.388843  1
  S  S60  1  0.499506  0.916443  0.388699  1
  S  S61  1  0.083333  0.040630  0.389404  1
  S  S62  1  0.166571  0.166350  0.388474  1
  S  S63  1  0.249897  0.291807  0.388453  1
  S  S64  1  0.333063  0.417038  0.388318  1
  S  S65  1  0.416248  0.542028  0.387968  1
  S  S66  1  0.499630  0.666863  0.387629  1
  S  S67  1  0.583333  0.791711  0.387877  1
  S  S68  1  0.667161  0.916443  0.388699  1
  S  S69  1  0.249279  0.040634  0.389293  1
  S  S70  1  0.333100  0.166329  0.388644  1
  S  S71  1  0.416532  0.291647  0.388538  1
  S  S72  1  0.499897  0.416799  0.388134  1
  S  S73  1  0.583334  0.541858  0.387620  1
  S  S74  1  0.667037  0.666863  0.387629  1
  S  S75  1  0.751260  0.791690  0.388843  1
  S  S76  1  0.834798  0.915951  0.390551  1
  S  S77  1  0.416170  0.041180  0.389037  1
  S  S78  1  0.499898  0.166418  0.388837  1
  S  S79  1  0.583333  0.291595  0.388521  1
  S  S80  1  0.666769  0.416799  0.388134  1
  S  S81  1  0.750419  0.542028  0.387968  1
  S  S82  1  0.834481  0.667261  0.389098  1
  S  S83  1  0.920654  0.792067  0.392778  1
  S  S84  1  0.001709  0.913435  0.392179  1
  S  S85  1  0.583333  0.041390  0.388862  1
  S  S86  1  0.666768  0.166418  0.388837  1
  S  S87  1  0.750134  0.291648  0.388538  1
  S  S88  1  0.833604  0.417038  0.388319  1
  S  S89  1  0.917400  0.542788  0.389147  1
  S  S90  1  0.002807  0.669524  0.392720  1
  S  S91  1  0.750497  0.041180  0.389037  1
  S  S92  1  0.833566  0.166329  0.388644  1
  S  S93  1  0.916770  0.291807  0.388453  1
  S  S94  1  0.000156  0.417437  0.388887  1
  S  S95  1  0.917388  0.040634  0.389294  1
  S  S96  1  0.000095  0.166350  0.388474  1
  S  S97  1  0.083333  0.791762  0.619652  1
  S  S98  1  0.166454  0.917004  0.614740  1
  S  S99  1  0.083334  0.541095  0.612157  1
  S  S100  1  0.167333  0.666300  0.615147  1
  S  S101  1  0.250959  0.791558  0.614922  1
  S  S102  1  0.333815  0.916790  0.611613  1
  S  S103  1  0.083333  0.291673  0.609704  1
  S  S104  1  0.166741  0.416739  0.610176  1
  S  S105  1  0.250332  0.542018  0.610611  1
  S  S106  1  0.333513  0.666712  0.610610  1
  S  S107  1  0.416874  0.791333  0.610289  1
  S  S108  1  0.500147  0.916353  0.610084  1
  S  S109  1  0.083333  0.041603  0.610819  1
  S  S110  1  0.166553  0.166601  0.609768  1
  S  S111  1  0.249889  0.291778  0.609624  1
  S  S112  1  0.333317  0.417015  0.609585  1
  S  S113  1  0.416696  0.541985  0.609344  1
  S  S114  1  0.500050  0.666728  0.609176  1
  S  S115  1  0.583333  0.791388  0.609290  1
  S  S116  1  0.666520  0.916353  0.610084  1
  S  S117  1  0.249587  0.041581  0.610692  1
  S  S118  1  0.333055  0.166551  0.609830  1
  S  S119  1  0.416517  0.291843  0.609535  1
  S  S120  1  0.499979  0.417031  0.609252  1
  S  S121  1  0.583334  0.541997  0.609026  1
  S  S122  1  0.666617  0.666728  0.609175  1
  S  S123  1  0.749793  0.791333  0.610289  1
  S  S124  1  0.832851  0.916790  0.611613  1
  S  S125  1  0.416599  0.041536  0.610295  1
  S  S126  1  0.499870  0.166624  0.609845  1
  S  S127  1  0.583333  0.291862  0.609563  1
  S  S128  1  0.666688  0.417031  0.609251  1
  S  S129  1  0.749971  0.541985  0.609344  1
  S  S130  1  0.833153  0.666711  0.610609  1
  S  S131  1  0.915708  0.791558  0.614922  1
  S  S132  1  0.000213  0.917004  0.614740  1
  S  S133  1  0.583333  0.041446  0.610090  1
  S  S134  1  0.666796  0.166624  0.609845  1
  S  S135  1  0.750150  0.291843  0.609535  1
  S  S136  1  0.833350  0.417015  0.609586  1
  S  S137  1  0.916335  0.542018  0.610611  1
  S  S138  1  -0.000666  0.666300  0.615147  1
  S  S139  1  0.750068  0.041536  0.610295  1
  S  S140  1  0.833611  0.166551  0.609831  1
  S  S141  1  0.916778  0.291778  0.609624  1
  S  S142  1  -0.000074  0.416738  0.610177  1
  S  S143  1  0.917080  0.041581  0.610692  1
  S  S144  1  0.000114  0.166601  0.609768  1
