# generated using pymatgen
data_CdW48S95
_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   CdW48S95
_chemical_formula_sum   'Cd1 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
  Cd  Cd1  1  0.083333  0.791642  0.341353  1
  W  W2  1  0.000500  0.750249  0.504698  1
  W  W3  1  0.083333  0.874544  0.504646  1
  W  W4  1  -0.000147  0.500595  0.500201  1
  W  W5  1  0.083333  0.627185  0.501780  1
  W  W6  1  0.166167  0.750249  0.504698  1
  W  W7  1  0.247914  0.873920  0.501800  1
  W  W8  1  0.000013  0.250377  0.499946  1
  W  W9  1  0.083333  0.375587  0.500078  1
  W  W10  1  0.166814  0.500595  0.500201  1
  W  W11  1  0.250000  0.625397  0.499941  1
  W  W12  1  0.332991  0.749743  0.499968  1
  W  W13  1  0.416374  0.874533  0.500181  1
  W  W14  1  0.000382  -0.000090  0.499934  1
  W  W15  1  0.083333  0.125429  0.499822  1
  W  W16  1  0.166654  0.250377  0.499946  1
  W  W17  1  0.249962  0.375370  0.499952  1
  W  W18  1  0.333320  0.500262  0.499834  1
  W  W19  1  0.416882  0.624785  0.499830  1
  W  W20  1  0.499804  0.749709  0.499769  1
  W  W21  1  0.583333  0.874682  0.499895  1
  W  W22  1  0.166285  -0.000090  0.499934  1
  W  W23  1  0.249753  0.125005  0.499827  1
  W  W24  1  0.333227  0.250134  0.499929  1
  W  W25  1  0.416668  0.375033  0.499954  1
  W  W26  1  0.500021  0.499871  0.499956  1
  W  W27  1  0.583333  0.624803  0.499882  1
  W  W28  1  0.666863  0.749709  0.499769  1
  W  W29  1  0.750292  0.874533  0.500181  1
  W  W30  1  0.332811  -0.000157  0.500207  1
  W  W31  1  0.416485  0.124827  0.499960  1
  W  W32  1  0.499933  0.249875  0.499982  1
  W  W33  1  0.583333  0.374892  0.500008  1
  W  W34  1  0.666646  0.499871  0.499956  1
  W  W35  1  0.749784  0.624785  0.499830  1
  W  W36  1  0.833676  0.749743  0.499968  1
  W  W37  1  0.918753  0.873920  0.501800  1
  W  W38  1  0.499770  -0.000344  0.500053  1
  W  W39  1  0.583333  0.124781  0.499987  1
  W  W40  1  0.666734  0.249875  0.499982  1
  W  W41  1  0.749999  0.375033  0.499954  1
  W  W42  1  0.833347  0.500262  0.499834  1
  W  W43  1  0.916667  0.625397  0.499941  1
  W  W44  1  0.666896  -0.000344  0.500053  1
  W  W45  1  0.750181  0.124827  0.499960  1
  W  W46  1  0.833440  0.250134  0.499929  1
  W  W47  1  0.916705  0.375370  0.499952  1
  W  W48  1  0.833856  -0.000157  0.500207  1
  W  W49  1  0.916914  0.125005  0.499827  1
  S  S50  1  0.165808  0.915100  0.390695  1
  S  S51  1  0.083333  0.543215  0.390495  1
  S  S52  1  0.165492  0.668174  0.390645  1
  S  S53  1  0.247974  0.791787  0.390702  1
  S  S54  1  0.331924  0.915887  0.390558  1
  S  S55  1  0.083333  0.292192  0.389260  1
  S  S56  1  0.166586  0.417266  0.389321  1
  S  S57  1  0.249873  0.541990  0.389162  1
  S  S58  1  0.333582  0.666502  0.389203  1
  S  S59  1  0.416345  0.791523  0.389185  1
  S  S60  1  0.499664  0.916366  0.389323  1
  S  S61  1  0.083333  0.042056  0.389206  1
  S  S62  1  0.166653  0.167033  0.389079  1
  S  S63  1  0.249991  0.291979  0.389154  1
  S  S64  1  0.333360  0.416833  0.389185  1
  S  S65  1  0.416789  0.541525  0.389021  1
  S  S66  1  0.500074  0.666442  0.388976  1
  S  S67  1  0.583333  0.791396  0.389172  1
  S  S68  1  0.667002  0.916366  0.389323  1
  S  S69  1  0.249814  0.041501  0.389217  1
  S  S70  1  0.333223  0.166681  0.389232  1
  S  S71  1  0.416657  0.291658  0.389203  1
  S  S72  1  0.500042  0.416528  0.389173  1
  S  S73  1  0.583333  0.541458  0.389116  1
  S  S74  1  0.666592  0.666442  0.388976  1
  S  S75  1  0.750321  0.791523  0.389185  1
  S  S76  1  0.834743  0.915887  0.390558  1
  S  S77  1  0.416328  0.041320  0.389388  1
  S  S78  1  0.499932  0.166480  0.389250  1
  S  S79  1  0.583333  0.291509  0.389269  1
  S  S80  1  0.666625  0.416528  0.389173  1
  S  S81  1  0.749877  0.541525  0.389021  1
  S  S82  1  0.833085  0.666502  0.389203  1
  S  S83  1  0.918693  0.791787  0.390702  1
  S  S84  1  0.000859  0.915100  0.390695  1
  S  S85  1  0.583333  0.041333  0.389386  1
  S  S86  1  0.666735  0.166480  0.389250  1
  S  S87  1  0.750010  0.291658  0.389203  1
  S  S88  1  0.833307  0.416833  0.389185  1
  S  S89  1  0.916794  0.541990  0.389162  1
  S  S90  1  0.001175  0.668174  0.390645  1
  S  S91  1  0.750338  0.041320  0.389388  1
  S  S92  1  0.833444  0.166681  0.389232  1
  S  S93  1  0.916676  0.291979  0.389154  1
  S  S94  1  0.000080  0.417266  0.389321  1
  S  S95  1  0.916852  0.041501  0.389217  1
  S  S96  1  0.000014  0.167033  0.389079  1
  S  S97  1  0.083333  0.791700  0.614291  1
  S  S98  1  0.165670  0.917296  0.613476  1
  S  S99  1  0.083333  0.542283  0.610812  1
  S  S100  1  0.167731  0.667152  0.613527  1
  S  S101  1  0.250075  0.790609  0.613520  1
  S  S102  1  0.332868  0.916346  0.610785  1
  S  S103  1  0.083333  0.292103  0.610713  1
  S  S104  1  0.166748  0.417117  0.610854  1
  S  S105  1  0.250234  0.542035  0.610871  1
  S  S106  1  0.333544  0.666513  0.610663  1
  S  S107  1  0.416538  0.791231  0.610816  1
  S  S108  1  0.499925  0.916308  0.610754  1
  S  S109  1  0.083333  0.041999  0.610616  1
  S  S110  1  0.166624  0.166982  0.610667  1
  S  S111  1  0.249999  0.291970  0.610719  1
  S  S112  1  0.333367  0.416881  0.610652  1
  S  S113  1  0.416766  0.541589  0.610756  1
  S  S114  1  0.500058  0.666463  0.610692  1
  S  S115  1  0.583333  0.791330  0.610448  1
  S  S116  1  0.666742  0.916308  0.610754  1
  S  S117  1  0.249588  0.041751  0.610811  1
  S  S118  1  0.333157  0.166680  0.610588  1
  S  S119  1  0.416619  0.291659  0.610742  1
  S  S120  1  0.500006  0.416553  0.610815  1
  S  S121  1  0.583333  0.541505  0.610761  1
  S  S122  1  0.666609  0.666463  0.610692  1
  S  S123  1  0.750128  0.791231  0.610816  1
  S  S124  1  0.833799  0.916346  0.610785  1
  S  S125  1  0.416426  0.041486  0.610776  1
  S  S126  1  0.499928  0.166479  0.610715  1
  S  S127  1  0.583333  0.291497  0.610774  1
  S  S128  1  0.666660  0.416553  0.610815  1
  S  S129  1  0.749901  0.541589  0.610756  1
  S  S130  1  0.833123  0.666513  0.610663  1
  S  S131  1  0.916591  0.790609  0.613520  1
  S  S132  1  0.000996  0.917296  0.613476  1
  S  S133  1  0.583333  0.041378  0.610638  1
  S  S134  1  0.666739  0.166479  0.610715  1
  S  S135  1  0.750047  0.291659  0.610742  1
  S  S136  1  0.833299  0.416881  0.610652  1
  S  S137  1  0.916433  0.542035  0.610871  1
  S  S138  1  -0.001064  0.667152  0.613527  1
  S  S139  1  0.750240  0.041486  0.610776  1
  S  S140  1  0.833510  0.166680  0.610588  1
  S  S141  1  0.916667  0.291970  0.610719  1
  S  S142  1  -0.000082  0.417117  0.610854  1
  S  S143  1  0.917079  0.041751  0.610811  1
  S  S144  1  0.000043  0.166982  0.610667  1
