# 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  0.750047  0.500000  1
  W  W2  1  0.084631  0.874660  0.500000  1
  W  W3  1  0.000000  0.499523  0.500000  1
  W  W4  1  0.082368  0.624201  0.500000  1
  W  W5  1  0.166977  0.751117  0.500000  1
  W  W6  1  0.250501  0.875233  0.500000  1
  W  W7  1  -0.000000  0.250085  0.500000  1
  W  W8  1  0.083353  0.374985  0.500000  1
  W  W9  1  0.166979  0.499862  0.500000  1
  W  W10  1  0.249516  0.625222  0.500000  1
  W  W11  1  0.333622  0.749808  0.500000  1
  W  W12  1  0.416733  0.874954  0.500000  1
  W  W13  1  -0.000000  -0.000468  0.500000  1
  W  W14  1  0.083275  0.124987  0.500000  1
  W  W15  1  0.166662  0.250054  0.500000  1
  W  W16  1  0.250083  0.374981  0.500000  1
  W  W17  1  0.333293  0.500056  0.500000  1
  W  W18  1  0.416596  0.624941  0.500000  1
  W  W19  1  0.500000  0.749847  0.500000  1
  W  W20  1  0.583267  0.874954  0.500000  1
  W  W21  1  0.166658  0.000316  0.500000  1
  W  W22  1  0.249998  0.125114  0.500000  1
  W  W23  1  0.333337  0.250028  0.500000  1
  W  W24  1  0.416667  0.375011  0.500000  1
  W  W25  1  0.500000  0.499951  0.500000  1
  W  W26  1  0.583404  0.624941  0.500000  1
  W  W27  1  0.666378  0.749808  0.500000  1
  W  W28  1  0.749499  0.875233  0.500000  1
  W  W29  1  0.333395  0.000040  0.500000  1
  W  W30  1  0.416653  0.124998  0.500000  1
  W  W31  1  0.500000  0.250012  0.500000  1
  W  W32  1  0.583333  0.375011  0.500000  1
  W  W33  1  0.666707  0.500056  0.500000  1
  W  W34  1  0.750484  0.625222  0.500000  1
  W  W35  1  0.833023  0.751117  0.500000  1
  W  W36  1  0.915369  0.874660  0.500000  1
  W  W37  1  0.500000  -0.000042  0.500000  1
  W  W38  1  0.583347  0.124998  0.500000  1
  W  W39  1  0.666663  0.250028  0.500000  1
  W  W40  1  0.749917  0.374981  0.500000  1
  W  W41  1  0.833021  0.499862  0.500000  1
  W  W42  1  0.917632  0.624201  0.500000  1
  W  W43  1  0.666605  0.000040  0.500000  1
  W  W44  1  0.750002  0.125114  0.500000  1
  W  W45  1  0.833338  0.250054  0.500000  1
  W  W46  1  0.916647  0.374985  0.500000  1
  W  W47  1  0.833342  0.000316  0.500000  1
  W  W48  1  0.916725  0.124987  0.500000  1
  S  S49  1  0.083873  0.791929  0.390490  1
  S  S50  1  0.167334  0.917081  0.389280  1
  S  S51  1  0.083420  0.540963  0.389288  1
  S  S52  1  0.165722  0.667130  0.389710  1
  S  S53  1  0.250733  0.791946  0.389282  1
  S  S54  1  0.333631  0.916800  0.389082  1
  S  S55  1  0.083354  0.291696  0.389199  1
  S  S56  1  0.166780  0.416564  0.389199  1
  S  S57  1  0.249994  0.541839  0.389191  1
  S  S58  1  0.333150  0.666554  0.389207  1
  S  S59  1  0.416811  0.791593  0.389194  1
  S  S60  1  0.500000  0.916618  0.389205  1
  S  S61  1  0.083153  0.041595  0.389209  1
  S  S62  1  0.166609  0.166713  0.389229  1
  S  S63  1  0.250026  0.291675  0.389207  1
  S  S64  1  0.333364  0.416705  0.389209  1
  S  S65  1  0.416670  0.541615  0.389225  1
  S  S66  1  0.500000  0.666521  0.389205  1
  S  S67  1  0.583189  0.791593  0.389194  1
  S  S68  1  0.666369  0.916800  0.389082  1
  S  S69  1  0.250068  0.041820  0.389220  1
  S  S70  1  0.333343  0.166705  0.389214  1
  S  S71  1  0.416673  0.291669  0.389223  1
  S  S72  1  0.500000  0.416627  0.389201  1
  S  S73  1  0.583330  0.541615  0.389225  1
  S  S74  1  0.666850  0.666554  0.389207  1
  S  S75  1  0.749267  0.791946  0.389282  1
  S  S76  1  0.832666  0.917081  0.389280  1
  S  S77  1  0.416700  0.041676  0.389218  1
  S  S78  1  0.500000  0.166660  0.389246  1
  S  S79  1  0.583327  0.291669  0.389223  1
  S  S80  1  0.666636  0.416705  0.389209  1
  S  S81  1  0.750006  0.541839  0.389191  1
  S  S82  1  0.834278  0.667130  0.389710  1
  S  S83  1  0.916127  0.791929  0.390490  1
  S  S84  1  -0.000000  0.915716  0.389721  1
  S  S85  1  0.583300  0.041676  0.389218  1
  S  S86  1  0.666657  0.166705  0.389214  1
  S  S87  1  0.749974  0.291675  0.389207  1
  S  S88  1  0.833220  0.416564  0.389199  1
  S  S89  1  0.916580  0.540963  0.389288  1
  S  S90  1  0.000000  0.666151  0.390536  1
  S  S91  1  0.749932  0.041820  0.389220  1
  S  S92  1  0.833391  0.166713  0.389229  1
  S  S93  1  0.916646  0.291696  0.389199  1
  S  S94  1  -0.000000  0.416400  0.389059  1
  S  S95  1  0.916847  0.041595  0.389209  1
  S  S96  1  0.000000  0.166739  0.389240  1
  S  S97  1  0.083873  0.791929  0.609510  1
  S  S98  1  0.167334  0.917081  0.610720  1
  S  S99  1  0.083420  0.540963  0.610712  1
  S  S100  1  0.165722  0.667130  0.610290  1
  S  S101  1  0.250733  0.791946  0.610718  1
  S  S102  1  0.333631  0.916800  0.610918  1
  S  S103  1  0.083354  0.291696  0.610801  1
  S  S104  1  0.166780  0.416564  0.610801  1
  S  S105  1  0.249994  0.541839  0.610810  1
  S  S106  1  0.333150  0.666554  0.610793  1
  S  S107  1  0.416811  0.791593  0.610806  1
  S  S108  1  0.500000  0.916618  0.610795  1
  S  S109  1  0.083153  0.041595  0.610792  1
  S  S110  1  0.166609  0.166713  0.610771  1
  S  S111  1  0.250026  0.291675  0.610793  1
  S  S112  1  0.333364  0.416705  0.610791  1
  S  S113  1  0.416670  0.541615  0.610775  1
  S  S114  1  0.500000  0.666521  0.610795  1
  S  S115  1  0.583189  0.791593  0.610806  1
  S  S116  1  0.666369  0.916800  0.610918  1
  S  S117  1  0.250068  0.041820  0.610780  1
  S  S118  1  0.333343  0.166705  0.610786  1
  S  S119  1  0.416673  0.291669  0.610777  1
  S  S120  1  0.500000  0.416627  0.610799  1
  S  S121  1  0.583330  0.541615  0.610775  1
  S  S122  1  0.666850  0.666554  0.610793  1
  S  S123  1  0.749267  0.791946  0.610718  1
  S  S124  1  0.832666  0.917081  0.610720  1
  S  S125  1  0.416700  0.041676  0.610782  1
  S  S126  1  0.500000  0.166660  0.610754  1
  S  S127  1  0.583327  0.291669  0.610777  1
  S  S128  1  0.666636  0.416705  0.610791  1
  S  S129  1  0.750006  0.541839  0.610810  1
  S  S130  1  0.834278  0.667130  0.610290  1
  S  S131  1  0.916127  0.791929  0.609510  1
  S  S132  1  0.000000  0.915716  0.610279  1
  S  S133  1  0.583300  0.041676  0.610782  1
  S  S134  1  0.666657  0.166705  0.610786  1
  S  S135  1  0.749974  0.291675  0.610793  1
  S  S136  1  0.833220  0.416564  0.610801  1
  S  S137  1  0.916580  0.540963  0.610712  1
  S  S138  1  0.000000  0.666151  0.609464  1
  S  S139  1  0.749932  0.041820  0.610780  1
  S  S140  1  0.833391  0.166713  0.610771  1
  S  S141  1  0.916646  0.291696  0.610801  1
  S  S142  1  0.000000  0.416400  0.610941  1
  S  S143  1  0.916847  0.041595  0.610792  1
  S  S144  1  -0.000000  0.166739  0.610760  1
