# generated using pymatgen
data_CdW47S96
_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   CdW47S96
_chemical_formula_sum   'Cd1 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
  Cd  Cd1  1  -0.000000  0.749602  0.500000  1
  W  W2  1  0.088072  0.878403  0.500000  1
  W  W3  1  -0.000000  0.496565  0.499997  1
  W  W4  1  0.084166  0.619361  0.499999  1
  W  W5  1  0.172036  0.752039  0.500000  1
  W  W6  1  0.252672  0.876693  0.499999  1
  W  W7  1  -0.000000  0.248709  0.499998  1
  W  W8  1  0.083546  0.372968  0.499999  1
  W  W9  1  0.166925  0.497586  0.500000  1
  W  W10  1  0.249719  0.625070  0.499999  1
  W  W11  1  0.335161  0.751067  0.499999  1
  W  W12  1  0.417598  0.876185  0.499997  1
  W  W13  1  0.000000  -0.000331  0.499998  1
  W  W14  1  0.083628  0.124505  0.500000  1
  W  W15  1  0.166998  0.249127  0.500002  1
  W  W16  1  0.250335  0.373974  0.500003  1
  W  W17  1  0.333303  0.499888  0.500000  1
  W  W18  1  0.416718  0.625372  0.499998  1
  W  W19  1  0.500000  0.750758  0.499995  1
  W  W20  1  0.582402  0.876185  0.499994  1
  W  W21  1  0.168655  0.001172  0.500000  1
  W  W22  1  0.250901  0.125519  0.500003  1
  W  W23  1  0.333704  0.250094  0.500005  1
  W  W24  1  0.416705  0.375201  0.500002  1
  W  W25  1  0.500000  0.500275  0.499998  1
  W  W26  1  0.583282  0.625373  0.499995  1
  W  W27  1  0.664839  0.751067  0.499995  1
  W  W28  1  0.747328  0.876693  0.499994  1
  W  W29  1  0.334552  0.001242  0.500001  1
  W  W30  1  0.417064  0.125846  0.500003  1
  W  W31  1  0.500000  0.250563  0.500002  1
  W  W32  1  0.583295  0.375201  0.499999  1
  W  W33  1  0.666698  0.499888  0.499996  1
  W  W34  1  0.750281  0.625070  0.499995  1
  W  W35  1  0.827964  0.752039  0.499997  1
  W  W36  1  0.911928  0.878403  0.499998  1
  W  W37  1  0.500000  0.001140  0.499998  1
  W  W38  1  0.582936  0.125847  0.499999  1
  W  W39  1  0.666296  0.250094  0.499998  1
  W  W40  1  0.749666  0.373974  0.499996  1
  W  W41  1  0.833075  0.497586  0.499994  1
  W  W42  1  0.915833  0.619361  0.499998  1
  W  W43  1  0.665448  0.001242  0.499995  1
  W  W44  1  0.749099  0.125519  0.499997  1
  W  W45  1  0.833002  0.249127  0.499996  1
  W  W46  1  0.916454  0.372968  0.499995  1
  W  W47  1  0.831345  0.001172  0.499996  1
  W  W48  1  0.916373  0.124505  0.499997  1
  S  S49  1  0.093329  0.796876  0.386036  1
  S  S50  1  0.170051  0.919073  0.388366  1
  S  S51  1  0.083914  0.537427  0.388519  1
  S  S52  1  0.165611  0.667084  0.391243  1
  S  S53  1  0.253744  0.793282  0.388530  1
  S  S54  1  0.335068  0.918135  0.388847  1
  S  S55  1  0.083461  0.290108  0.389110  1
  S  S56  1  0.166948  0.414801  0.389102  1
  S  S57  1  0.249843  0.541389  0.389503  1
  S  S58  1  0.333315  0.666962  0.389474  1
  S  S59  1  0.417598  0.792686  0.388982  1
  S  S60  1  0.500000  0.917959  0.388863  1
  S  S61  1  0.083621  0.041381  0.389341  1
  S  S62  1  0.166975  0.166127  0.389199  1
  S  S63  1  0.250220  0.290997  0.389127  1
  S  S64  1  0.333302  0.416586  0.389335  1
  S  S65  1  0.416578  0.541925  0.389475  1
  S  S66  1  0.500000  0.667114  0.389401  1
  S  S67  1  0.582402  0.792686  0.388983  1
  S  S68  1  0.664932  0.918135  0.388849  1
  S  S69  1  0.251310  0.042685  0.388951  1
  S  S70  1  0.333881  0.167170  0.389014  1
  S  S71  1  0.416756  0.292081  0.389184  1
  S  S72  1  0.500000  0.416985  0.389337  1
  S  S73  1  0.583423  0.541926  0.389476  1
  S  S74  1  0.666685  0.666962  0.389476  1
  S  S75  1  0.746256  0.793282  0.388532  1
  S  S76  1  0.829949  0.919073  0.388367  1
  S  S77  1  0.417218  0.042818  0.388917  1
  S  S78  1  0.500000  0.167514  0.389056  1
  S  S79  1  0.583244  0.292081  0.389186  1
  S  S80  1  0.666699  0.416586  0.389338  1
  S  S81  1  0.750157  0.541389  0.389506  1
  S  S82  1  0.834388  0.667084  0.391244  1
  S  S83  1  0.906671  0.796876  0.386036  1
  S  S84  1  -0.000000  0.915751  0.391102  1
  S  S85  1  0.582783  0.042818  0.388918  1
  S  S86  1  0.666119  0.167171  0.389017  1
  S  S87  1  0.749780  0.290996  0.389130  1
  S  S88  1  0.833052  0.414801  0.389103  1
  S  S89  1  0.916085  0.537427  0.388520  1
  S  S90  1  -0.000000  0.655955  0.386089  1
  S  S91  1  0.748690  0.042685  0.388954  1
  S  S92  1  0.833025  0.166127  0.389202  1
  S  S93  1  0.916539  0.290108  0.389112  1
  S  S94  1  -0.000000  0.413943  0.388986  1
  S  S95  1  0.916379  0.041381  0.389342  1
  S  S96  1  -0.000000  0.165650  0.389295  1
  S  S97  1  0.093328  0.796876  0.613965  1
  S  S98  1  0.170051  0.919074  0.611635  1
  S  S99  1  0.083915  0.537427  0.611483  1
  S  S100  1  0.165611  0.667084  0.608758  1
  S  S101  1  0.253744  0.793282  0.611472  1
  S  S102  1  0.335068  0.918135  0.611154  1
  S  S103  1  0.083462  0.290107  0.610890  1
  S  S104  1  0.166948  0.414801  0.610897  1
  S  S105  1  0.249843  0.541389  0.610497  1
  S  S106  1  0.333315  0.666962  0.610528  1
  S  S107  1  0.417598  0.792687  0.611022  1
  S  S108  1  0.500000  0.917960  0.611140  1
  S  S109  1  0.083621  0.041381  0.610660  1
  S  S110  1  0.166975  0.166127  0.610799  1
  S  S111  1  0.250221  0.290996  0.610870  1
  S  S112  1  0.333302  0.416586  0.610663  1
  S  S113  1  0.416577  0.541925  0.610526  1
  S  S114  1  0.500000  0.667112  0.610602  1
  S  S115  1  0.582402  0.792687  0.611024  1
  S  S116  1  0.664932  0.918135  0.611156  1
  S  S117  1  0.251310  0.042686  0.611047  1
  S  S118  1  0.333881  0.167171  0.610982  1
  S  S119  1  0.416756  0.292081  0.610812  1
  S  S120  1  0.500000  0.416985  0.610663  1
  S  S121  1  0.583422  0.541925  0.610528  1
  S  S122  1  0.666685  0.666962  0.610530  1
  S  S123  1  0.746256  0.793282  0.611474  1
  S  S124  1  0.829949  0.919073  0.611637  1
  S  S125  1  0.417217  0.042819  0.611082  1
  S  S126  1  0.500000  0.167515  0.610942  1
  S  S127  1  0.583244  0.292081  0.610814  1
  S  S128  1  0.666698  0.416586  0.610666  1
  S  S129  1  0.750158  0.541389  0.610498  1
  S  S130  1  0.834389  0.667084  0.608760  1
  S  S131  1  0.906672  0.796876  0.613966  1
  S  S132  1  0.000000  0.915751  0.608899  1
  S  S133  1  0.582782  0.042819  0.611084  1
  S  S134  1  0.666118  0.167171  0.610985  1
  S  S135  1  0.749780  0.290997  0.610873  1
  S  S136  1  0.833052  0.414801  0.610901  1
  S  S137  1  0.916086  0.537427  0.611484  1
  S  S138  1  0.000000  0.655956  0.613912  1
  S  S139  1  0.748690  0.042685  0.611050  1
  S  S140  1  0.833025  0.166127  0.610802  1
  S  S141  1  0.916539  0.290107  0.610892  1
  S  S142  1  0.000000  0.413943  0.611017  1
  S  S143  1  0.916379  0.041381  0.610661  1
  S  S144  1  0.000000  0.165650  0.610707  1
