# 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  0.000006  0.753124  0.500000  1
  W  W2  1  0.084765  0.876109  0.500000  1
  W  W3  1  -0.000000  0.499031  0.500000  1
  W  W4  1  0.084330  0.622797  0.500000  1
  W  W5  1  0.169176  0.750223  0.500000  1
  W  W6  1  0.250864  0.875348  0.500000  1
  W  W7  1  -0.000000  0.249363  0.500000  1
  W  W8  1  0.083273  0.374123  0.500000  1
  W  W9  1  0.165704  0.499425  0.500000  1
  W  W10  1  0.249301  0.625411  0.499999  1
  W  W11  1  0.333365  0.750955  0.499999  1
  W  W12  1  0.416951  0.875434  0.499999  1
  W  W13  1  0.000000  -0.001176  0.500000  1
  W  W14  1  0.083609  0.124341  0.500000  1
  W  W15  1  0.166775  0.249316  0.500000  1
  W  W16  1  0.249964  0.374803  0.500000  1
  W  W17  1  0.333090  0.500207  0.499998  1
  W  W18  1  0.416687  0.625437  0.499998  1
  W  W19  1  0.500000  0.750399  0.499998  1
  W  W20  1  0.583048  0.875435  0.499999  1
  W  W21  1  0.167657  -0.000470  0.500000  1
  W  W22  1  0.250105  0.124935  0.500000  1
  W  W23  1  0.333235  0.250154  0.499999  1
  W  W24  1  0.416191  0.375271  0.499998  1
  W  W25  1  0.500000  0.500775  0.499997  1
  W  W26  1  0.583313  0.625437  0.499997  1
  W  W27  1  0.666635  0.750955  0.499999  1
  W  W28  1  0.749136  0.875348  0.500000  1
  W  W29  1  0.333671  0.000294  0.500000  1
  W  W30  1  0.417099  0.125281  0.499999  1
  W  W31  1  0.500000  0.250085  0.499999  1
  W  W32  1  0.583809  0.375271  0.499998  1
  W  W33  1  0.666910  0.500207  0.499998  1
  W  W34  1  0.750699  0.625410  0.499999  1
  W  W35  1  0.830822  0.750222  0.500000  1
  W  W36  1  0.915234  0.876109  0.500000  1
  W  W37  1  0.500000  0.000499  0.499999  1
  W  W38  1  0.582901  0.125281  0.499999  1
  W  W39  1  0.666765  0.250154  0.499999  1
  W  W40  1  0.750036  0.374804  0.499999  1
  W  W41  1  0.834296  0.499425  0.499999  1
  W  W42  1  0.915668  0.622796  0.500000  1
  W  W43  1  0.666329  0.000294  0.499999  1
  W  W44  1  0.749895  0.124935  0.500000  1
  W  W45  1  0.833226  0.249316  0.500000  1
  W  W46  1  0.916727  0.374122  0.499999  1
  W  W47  1  0.832343  -0.000470  0.500000  1
  W  W48  1  0.916391  0.124340  0.500001  1
  S  S49  1  0.084679  0.792041  0.390974  1
  S  S50  1  0.167733  0.916709  0.388788  1
  S  S51  1  0.082920  0.540526  0.388544  1
  S  S52  1  0.165976  0.666930  0.389884  1
  S  S53  1  0.250767  0.792409  0.388577  1
  S  S54  1  0.333917  0.917103  0.389406  1
  S  S55  1  0.083396  0.290856  0.389456  1
  S  S56  1  0.166467  0.416127  0.389484  1
  S  S57  1  0.249497  0.541783  0.389772  1
  S  S58  1  0.333051  0.667032  0.389661  1
  S  S59  1  0.416799  0.792098  0.389431  1
  S  S60  1  0.500000  0.917198  0.389376  1
  S  S61  1  0.083465  0.040848  0.389760  1
  S  S62  1  0.166723  0.166103  0.389481  1
  S  S63  1  0.249839  0.291507  0.389509  1
  S  S64  1  0.333009  0.416946  0.389594  1
  S  S65  1  0.416406  0.542117  0.389607  1
  S  S66  1  0.500000  0.667112  0.389574  1
  S  S67  1  0.583201  0.792098  0.389431  1
  S  S68  1  0.666083  0.917103  0.389407  1
  S  S69  1  0.250397  0.041720  0.389365  1
  S  S70  1  0.333459  0.166733  0.389626  1
  S  S71  1  0.416663  0.291912  0.389687  1
  S  S72  1  0.500000  0.417105  0.389991  1
  S  S73  1  0.583594  0.542117  0.389607  1
  S  S74  1  0.666949  0.667032  0.389661  1
  S  S75  1  0.749233  0.792409  0.388576  1
  S  S76  1  0.832267  0.916709  0.388788  1
  S  S77  1  0.416797  0.042054  0.389376  1
  S  S78  1  0.500000  0.167037  0.389366  1
  S  S79  1  0.583337  0.291913  0.389687  1
  S  S80  1  0.666991  0.416946  0.389595  1
  S  S81  1  0.750503  0.541783  0.389772  1
  S  S82  1  0.834023  0.666930  0.389884  1
  S  S83  1  0.915324  0.792039  0.390978  1
  S  S84  1  -0.000000  0.915570  0.389766  1
  S  S85  1  0.583203  0.042054  0.389376  1
  S  S86  1  0.666541  0.166733  0.389626  1
  S  S87  1  0.750161  0.291506  0.389509  1
  S  S88  1  0.833533  0.416127  0.389485  1
  S  S89  1  0.917079  0.540525  0.388543  1
  S  S90  1  -0.000001  0.666861  0.392767  1
  S  S91  1  0.749603  0.041720  0.389365  1
  S  S92  1  0.833277  0.166103  0.389482  1
  S  S93  1  0.916604  0.290856  0.389456  1
  S  S94  1  -0.000000  0.415712  0.389545  1
  S  S95  1  0.916534  0.040848  0.389760  1
  S  S96  1  -0.000000  0.165872  0.389761  1
  S  S97  1  0.084679  0.792041  0.609025  1
  S  S98  1  0.167733  0.916709  0.611212  1
  S  S99  1  0.082920  0.540526  0.611457  1
  S  S100  1  0.165976  0.666930  0.610116  1
  S  S101  1  0.250767  0.792409  0.611424  1
  S  S102  1  0.333917  0.917103  0.610594  1
  S  S103  1  0.083396  0.290856  0.610544  1
  S  S104  1  0.166467  0.416127  0.610516  1
  S  S105  1  0.249497  0.541783  0.610229  1
  S  S106  1  0.333051  0.667032  0.610341  1
  S  S107  1  0.416799  0.792099  0.610570  1
  S  S108  1  0.500000  0.917198  0.610624  1
  S  S109  1  0.083465  0.040848  0.610240  1
  S  S110  1  0.166723  0.166103  0.610519  1
  S  S111  1  0.249839  0.291507  0.610492  1
  S  S112  1  0.333008  0.416946  0.610407  1
  S  S113  1  0.416406  0.542117  0.610395  1
  S  S114  1  0.500000  0.667112  0.610428  1
  S  S115  1  0.583201  0.792099  0.610570  1
  S  S116  1  0.666083  0.917103  0.610594  1
  S  S117  1  0.250397  0.041720  0.610634  1
  S  S118  1  0.333459  0.166733  0.610374  1
  S  S119  1  0.416663  0.291912  0.610315  1
  S  S120  1  0.500000  0.417105  0.610011  1
  S  S121  1  0.583594  0.542117  0.610395  1
  S  S122  1  0.666949  0.667032  0.610341  1
  S  S123  1  0.749233  0.792409  0.611424  1
  S  S124  1  0.832267  0.916709  0.611212  1
  S  S125  1  0.416797  0.042054  0.610625  1
  S  S126  1  0.500000  0.167037  0.610635  1
  S  S127  1  0.583338  0.291912  0.610314  1
  S  S128  1  0.666991  0.416946  0.610407  1
  S  S129  1  0.750503  0.541783  0.610231  1
  S  S130  1  0.834023  0.666930  0.610116  1
  S  S131  1  0.915324  0.792040  0.609023  1
  S  S132  1  -0.000000  0.915570  0.610233  1
  S  S133  1  0.583203  0.042054  0.610625  1
  S  S134  1  0.666541  0.166733  0.610375  1
  S  S135  1  0.750161  0.291506  0.610492  1
  S  S136  1  0.833533  0.416127  0.610517  1
  S  S137  1  0.917080  0.540525  0.611457  1
  S  S138  1  -0.000001  0.666861  0.607233  1
  S  S139  1  0.749603  0.041720  0.610635  1
  S  S140  1  0.833277  0.166103  0.610519  1
  S  S141  1  0.916604  0.290856  0.610544  1
  S  S142  1  -0.000000  0.415712  0.610455  1
  S  S143  1  0.916535  0.040847  0.610240  1
  S  S144  1  -0.000000  0.165872  0.610239  1
