# 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  0.791682  0.351565  1
  W  W2  1  -0.001971  0.749006  0.503368  1
  W  W3  1  0.083333  0.876992  0.503320  1
  W  W4  1  -0.000108  0.499957  0.500230  1
  W  W5  1  0.083333  0.625614  0.501050  1
  W  W6  1  0.168638  0.749006  0.503368  1
  W  W7  1  0.249381  0.874708  0.501038  1
  W  W8  1  -0.000032  0.250046  0.499935  1
  W  W9  1  0.083333  0.375012  0.499948  1
  W  W10  1  0.166775  0.499957  0.500230  1
  W  W11  1  0.250031  0.624825  0.500624  1
  W  W12  1  0.333505  0.750061  0.500620  1
  W  W13  1  0.416747  0.874963  0.500193  1
  W  W14  1  -0.000153  0.000126  0.500623  1
  W  W15  1  0.083333  0.125175  0.500087  1
  W  W16  1  0.166699  0.250046  0.499935  1
  W  W17  1  0.250006  0.374981  0.499907  1
  W  W18  1  0.333363  0.499955  0.499966  1
  W  W19  1  0.416817  0.624897  0.500068  1
  W  W20  1  0.499993  0.749998  0.499890  1
  W  W21  1  0.583333  0.875057  0.499847  1
  W  W22  1  0.166820  0.000126  0.500623  1
  W  W23  1  0.250025  0.125047  0.499966  1
  W  W24  1  0.333366  0.250029  0.499920  1
  W  W25  1  0.416704  0.374961  0.499934  1
  W  W26  1  0.500024  0.499924  0.499945  1
  W  W27  1  0.583333  0.624962  0.499902  1
  W  W28  1  0.666673  0.749998  0.499890  1
  W  W29  1  0.749920  0.874963  0.500193  1
  W  W30  1  0.333319  0.000115  0.500219  1
  W  W31  1  0.416705  0.125023  0.499924  1
  W  W32  1  0.500015  0.249994  0.499970  1
  W  W33  1  0.583333  0.374961  0.499972  1
  W  W34  1  0.666642  0.499924  0.499945  1
  W  W35  1  0.749850  0.624897  0.500068  1
  W  W36  1  0.833161  0.750060  0.500620  1
  W  W37  1  0.917285  0.874708  0.501038  1
  W  W38  1  0.499994  0.000028  0.499933  1
  W  W39  1  0.583333  0.125033  0.499950  1
  W  W40  1  0.666652  0.249994  0.499970  1
  W  W41  1  0.749962  0.374961  0.499934  1
  W  W42  1  0.833304  0.499955  0.499966  1
  W  W43  1  0.916636  0.624825  0.500623  1
  W  W44  1  0.666672  0.000028  0.499933  1
  W  W45  1  0.749962  0.125023  0.499924  1
  W  W46  1  0.833301  0.250029  0.499920  1
  W  W47  1  0.916661  0.374981  0.499907  1
  W  W48  1  0.833348  0.000115  0.500219  1
  W  W49  1  0.916641  0.125047  0.499966  1
  S  S50  1  0.166468  0.916191  0.389965  1
  S  S51  1  0.083333  0.542071  0.390164  1
  S  S52  1  0.166267  0.667069  0.389969  1
  S  S53  1  0.249378  0.791759  0.389976  1
  S  S54  1  0.332912  0.916476  0.390135  1
  S  S55  1  0.083333  0.291690  0.389201  1
  S  S56  1  0.166649  0.416745  0.389239  1
  S  S57  1  0.249932  0.541738  0.389420  1
  S  S58  1  0.333361  0.666640  0.389810  1
  S  S59  1  0.416505  0.791695  0.389387  1
  S  S60  1  0.499889  0.916688  0.389198  1
  S  S61  1  0.083333  0.041719  0.389802  1
  S  S62  1  0.166671  0.166706  0.389228  1
  S  S63  1  0.250024  0.291667  0.389158  1
  S  S64  1  0.333359  0.416631  0.389188  1
  S  S65  1  0.416697  0.541613  0.389223  1
  S  S66  1  0.499996  0.666627  0.389186  1
  S  S67  1  0.583333  0.791682  0.389147  1
  S  S68  1  0.666778  0.916688  0.389198  1
  S  S69  1  0.249956  0.041587  0.389413  1
  S  S70  1  0.333363  0.166688  0.389190  1
  S  S71  1  0.416714  0.291647  0.389184  1
  S  S72  1  0.500028  0.416608  0.389190  1
  S  S73  1  0.583333  0.541597  0.389185  1
  S  S74  1  0.666671  0.666627  0.389186  1
  S  S75  1  0.750161  0.791695  0.389387  1
  S  S76  1  0.833755  0.916476  0.390135  1
  S  S77  1  0.416597  0.041637  0.389238  1
  S  S78  1  0.500027  0.166687  0.389189  1
  S  S79  1  0.583333  0.291647  0.389226  1
  S  S80  1  0.666639  0.416608  0.389190  1
  S  S81  1  0.749969  0.541613  0.389223  1
  S  S82  1  0.833305  0.666640  0.389810  1
  S  S83  1  0.917289  0.791759  0.389976  1
  S  S84  1  0.000199  0.916191  0.389965  1
  S  S85  1  0.583333  0.041703  0.389200  1
  S  S86  1  0.666639  0.166687  0.389189  1
  S  S87  1  0.749952  0.291647  0.389184  1
  S  S88  1  0.833308  0.416631  0.389188  1
  S  S89  1  0.916734  0.541738  0.389420  1
  S  S90  1  0.000399  0.667069  0.389969  1
  S  S91  1  0.750070  0.041637  0.389238  1
  S  S92  1  0.833304  0.166688  0.389190  1
  S  S93  1  0.916643  0.291667  0.389158  1
  S  S94  1  0.000018  0.416745  0.389239  1
  S  S95  1  0.916711  0.041587  0.389413  1
  S  S96  1  -0.000004  0.166706  0.389228  1
  S  S97  1  0.083333  0.791680  0.608740  1
  S  S98  1  0.167173  0.917359  0.612985  1
  S  S99  1  0.083333  0.541632  0.610894  1
  S  S100  1  0.167098  0.665930  0.613005  1
  S  S101  1  0.250940  0.791713  0.612998  1
  S  S102  1  0.333354  0.916693  0.610887  1
  S  S103  1  0.083333  0.291682  0.610681  1
  S  S104  1  0.166696  0.416564  0.610761  1
  S  S105  1  0.250174  0.541456  0.611026  1
  S  S106  1  0.333590  0.666526  0.610971  1
  S  S107  1  0.416941  0.791647  0.610999  1
  S  S108  1  0.500102  0.916721  0.610727  1
  S  S109  1  0.083333  0.041928  0.610975  1
  S  S110  1  0.166728  0.166775  0.610746  1
  S  S111  1  0.250039  0.291683  0.610684  1
  S  S112  1  0.333368  0.416597  0.610656  1
  S  S113  1  0.416740  0.541552  0.610744  1
  S  S114  1  0.500099  0.666658  0.610699  1
  S  S115  1  0.583333  0.791692  0.610557  1
  S  S116  1  0.666564  0.916721  0.610727  1
  S  S117  1  0.250119  0.041906  0.611027  1
  S  S118  1  0.333388  0.166719  0.610659  1
  S  S119  1  0.416688  0.291657  0.610716  1
  S  S120  1  0.500012  0.416612  0.610722  1
  S  S121  1  0.583333  0.541617  0.610681  1
  S  S122  1  0.666568  0.666658  0.610699  1
  S  S123  1  0.749725  0.791647  0.610999  1
  S  S124  1  0.833313  0.916693  0.610887  1
  S  S125  1  0.416755  0.041745  0.610758  1
  S  S126  1  0.500006  0.166674  0.610718  1
  S  S127  1  0.583333  0.291646  0.610745  1
  S  S128  1  0.666655  0.416612  0.610722  1
  S  S129  1  0.749926  0.541552  0.610744  1
  S  S130  1  0.833077  0.666526  0.610970  1
  S  S131  1  0.915727  0.791713  0.612998  1
  S  S132  1  -0.000507  0.917359  0.612985  1
  S  S133  1  0.583333  0.041695  0.610674  1
  S  S134  1  0.666660  0.166674  0.610718  1
  S  S135  1  0.749978  0.291657  0.610716  1
  S  S136  1  0.833299  0.416597  0.610656  1
  S  S137  1  0.916492  0.541456  0.611026  1
  S  S138  1  -0.000432  0.665930  0.613004  1
  S  S139  1  0.749911  0.041745  0.610758  1
  S  S140  1  0.833279  0.166719  0.610659  1
  S  S141  1  0.916628  0.291683  0.610684  1
  S  S142  1  -0.000029  0.416564  0.610761  1
  S  S143  1  0.916548  0.041906  0.611027  1
  S  S144  1  -0.000061  0.166775  0.610746  1
