# 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  0.792414  0.315600  1
  W  W2  1  0.002212  0.751165  0.505616  1
  W  W3  1  0.083333  0.872828  0.505521  1
  W  W4  1  0.000005  0.500724  0.500676  1
  W  W5  1  0.083333  0.627006  0.502757  1
  W  W6  1  0.164455  0.751165  0.505617  1
  W  W7  1  0.248140  0.874063  0.502586  1
  W  W8  1  0.000046  0.250188  0.499859  1
  W  W9  1  0.083333  0.375483  0.500209  1
  W  W10  1  0.166662  0.500724  0.500676  1
  W  W11  1  0.249698  0.625716  0.500702  1
  W  W12  1  0.332583  0.749886  0.500578  1
  W  W13  1  0.416187  0.874590  0.500406  1
  W  W14  1  0.000493  -0.000489  0.500679  1
  W  W15  1  0.083333  0.125028  0.499948  1
  W  W16  1  0.166620  0.250188  0.499859  1
  W  W17  1  0.249901  0.375331  0.499989  1
  W  W18  1  0.333175  0.500353  0.499922  1
  W  W19  1  0.416581  0.625021  0.499767  1
  W  W20  1  0.499761  0.749831  0.499668  1
  W  W21  1  0.583333  0.874705  0.499868  1
  W  W22  1  0.166173  -0.000489  0.500679  1
  W  W23  1  0.249756  0.124791  0.499912  1
  W  W24  1  0.333193  0.250008  0.499775  1
  W  W25  1  0.416574  0.375064  0.499740  1
  W  W26  1  0.499953  0.499992  0.499615  1
  W  W27  1  0.583333  0.624930  0.499504  1
  W  W28  1  0.666906  0.749831  0.499668  1
  W  W29  1  0.750480  0.874590  0.500406  1
  W  W30  1  0.332781  -0.000366  0.500496  1
  W  W31  1  0.416470  0.124739  0.499895  1
  W  W32  1  0.499925  0.249857  0.499746  1
  W  W33  1  0.583333  0.374930  0.499667  1
  W  W34  1  0.666714  0.499991  0.499614  1
  W  W35  1  0.750086  0.625021  0.499766  1
  W  W36  1  0.834083  0.749886  0.500578  1
  W  W37  1  0.918527  0.874063  0.502586  1
  W  W38  1  0.499794  -0.000361  0.500074  1
  W  W39  1  0.583333  0.124731  0.499866  1
  W  W40  1  0.666741  0.249857  0.499746  1
  W  W41  1  0.750093  0.375064  0.499740  1
  W  W42  1  0.833491  0.500353  0.499922  1
  W  W43  1  0.916969  0.625716  0.500702  1
  W  W44  1  0.666873  -0.000361  0.500074  1
  W  W45  1  0.750197  0.124739  0.499895  1
  W  W46  1  0.833473  0.250008  0.499775  1
  W  W47  1  0.916766  0.375331  0.499990  1
  W  W48  1  0.833886  -0.000366  0.500496  1
  W  W49  1  0.916911  0.124791  0.499912  1
  S  S50  1  0.165039  0.914230  0.391939  1
  S  S51  1  0.083333  0.543472  0.390992  1
  S  S52  1  0.164962  0.669257  0.392028  1
  S  S53  1  0.246644  0.791689  0.391964  1
  S  S54  1  0.331706  0.915760  0.390786  1
  S  S55  1  0.083333  0.292107  0.389263  1
  S  S56  1  0.166520  0.417424  0.389621  1
  S  S57  1  0.249533  0.542441  0.389661  1
  S  S58  1  0.332894  0.666861  0.389474  1
  S  S59  1  0.415812  0.791554  0.389455  1
  S  S60  1  0.499540  0.916291  0.389445  1
  S  S61  1  0.083333  0.041376  0.389589  1
  S  S62  1  0.166612  0.166703  0.389147  1
  S  S63  1  0.249903  0.291925  0.389134  1
  S  S64  1  0.333155  0.416949  0.389160  1
  S  S65  1  0.416493  0.541732  0.388957  1
  S  S66  1  0.499847  0.666607  0.388818  1
  S  S67  1  0.583333  0.791494  0.389010  1
  S  S68  1  0.667126  0.916291  0.389445  1
  S  S69  1  0.249532  0.041022  0.389614  1
  S  S70  1  0.333138  0.166480  0.389163  1
  S  S71  1  0.416569  0.291621  0.389041  1
  S  S72  1  0.499940  0.416589  0.388921  1
  S  S73  1  0.583333  0.541574  0.388785  1
  S  S74  1  0.666819  0.666607  0.388818  1
  S  S75  1  0.750855  0.791554  0.389455  1
  S  S76  1  0.834961  0.915760  0.390786  1
  S  S77  1  0.416202  0.041148  0.389501  1
  S  S78  1  0.499899  0.166380  0.389142  1
  S  S79  1  0.583333  0.291487  0.389015  1
  S  S80  1  0.666727  0.416589  0.388920  1
  S  S81  1  0.750174  0.541732  0.388956  1
  S  S82  1  0.833773  0.666861  0.389474  1
  S  S83  1  0.920022  0.791689  0.391964  1
  S  S84  1  0.001628  0.914230  0.391939  1
  S  S85  1  0.583333  0.041250  0.389342  1
  S  S86  1  0.666768  0.166380  0.389142  1
  S  S87  1  0.750097  0.291621  0.389041  1
  S  S88  1  0.833511  0.416949  0.389160  1
  S  S89  1  0.917134  0.542441  0.389661  1
  S  S90  1  0.001704  0.669257  0.392028  1
  S  S91  1  0.750465  0.041148  0.389501  1
  S  S92  1  0.833528  0.166480  0.389163  1
  S  S93  1  0.916764  0.291925  0.389134  1
  S  S94  1  0.000146  0.417424  0.389621  1
  S  S95  1  0.917135  0.041022  0.389614  1
  S  S96  1  0.000055  0.166703  0.389147  1
  S  S97  1  0.083333  0.791742  0.617613  1
  S  S98  1  0.165472  0.916888  0.613862  1
  S  S99  1  0.083333  0.542204  0.611722  1
  S  S100  1  0.167500  0.667583  0.613995  1
  S  S101  1  0.249646  0.790680  0.613872  1
  S  S102  1  0.333020  0.916383  0.611478  1
  S  S103  1  0.083333  0.291893  0.610653  1
  S  S104  1  0.166721  0.417020  0.611000  1
  S  S105  1  0.250205  0.542103  0.611168  1
  S  S106  1  0.333512  0.666633  0.611015  1
  S  S107  1  0.416546  0.791276  0.610902  1
  S  S108  1  0.499938  0.916310  0.610762  1
  S  S109  1  0.083333  0.041844  0.611086  1
  S  S110  1  0.166634  0.166795  0.610617  1
  S  S111  1  0.249977  0.291825  0.610579  1
  S  S112  1  0.333355  0.416877  0.610578  1
  S  S113  1  0.416756  0.541707  0.610528  1
  S  S114  1  0.500053  0.666541  0.610386  1
  S  S115  1  0.583333  0.791344  0.610362  1
  S  S116  1  0.666729  0.916310  0.610761  1
  S  S117  1  0.249633  0.041610  0.611048  1
  S  S118  1  0.333176  0.166596  0.610500  1
  S  S119  1  0.416599  0.291648  0.610453  1
  S  S120  1  0.500002  0.416641  0.610404  1
  S  S121  1  0.583335  0.541614  0.610307  1
  S  S122  1  0.666614  0.666541  0.610386  1
  S  S123  1  0.750121  0.791276  0.610902  1
  S  S124  1  0.833647  0.916383  0.611478  1
  S  S125  1  0.416479  0.041450  0.610804  1
  S  S126  1  0.499926  0.166485  0.610513  1
  S  S127  1  0.583333  0.291550  0.610426  1
  S  S128  1  0.666665  0.416641  0.610404  1
  S  S129  1  0.749911  0.541707  0.610526  1
  S  S130  1  0.833155  0.666633  0.611016  1
  S  S131  1  0.917020  0.790680  0.613872  1
  S  S132  1  0.001194  0.916888  0.613862  1
  S  S133  1  0.583333  0.041388  0.610623  1
  S  S134  1  0.666741  0.166485  0.610513  1
  S  S135  1  0.750067  0.291648  0.610453  1
  S  S136  1  0.833312  0.416877  0.610578  1
  S  S137  1  0.916462  0.542103  0.611168  1
  S  S138  1  -0.000833  0.667583  0.613995  1
  S  S139  1  0.750187  0.041450  0.610804  1
  S  S140  1  0.833490  0.166596  0.610500  1
  S  S141  1  0.916690  0.291825  0.610579  1
  S  S142  1  -0.000055  0.417020  0.611000  1
  S  S143  1  0.917033  0.041610  0.611049  1
  S  S144  1  0.000033  0.166795  0.610617  1
