# 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  0.791667  0.340859  1
  W  W2  1  0.000506  0.750287  0.504558  1
  W  W3  1  0.083333  0.874520  0.504539  1
  W  W4  1  -0.000121  0.500729  0.500246  1
  W  W5  1  0.083333  0.627244  0.501784  1
  W  W6  1  0.166161  0.750287  0.504558  1
  W  W7  1  0.247881  0.873901  0.501783  1
  W  W8  1  0.000050  0.250322  0.499941  1
  W  W9  1  0.083333  0.375626  0.500098  1
  W  W10  1  0.166787  0.500729  0.500246  1
  W  W11  1  0.249951  0.625491  0.499971  1
  W  W12  1  0.332931  0.749793  0.499980  1
  W  W13  1  0.416302  0.874483  0.500202  1
  W  W14  1  0.000411  -0.000216  0.499959  1
  W  W15  1  0.083333  0.125266  0.499825  1
  W  W16  1  0.166616  0.250322  0.499941  1
  W  W17  1  0.249899  0.375433  0.499959  1
  W  W18  1  0.333265  0.500387  0.499855  1
  W  W19  1  0.416803  0.624927  0.499836  1
  W  W20  1  0.499781  0.749761  0.499790  1
  W  W21  1  0.583333  0.874629  0.499920  1
  W  W22  1  0.166256  -0.000216  0.499959  1
  W  W23  1  0.249671  0.124881  0.499842  1
  W  W24  1  0.333142  0.250069  0.499921  1
  W  W25  1  0.416594  0.375125  0.499956  1
  W  W26  1  0.499989  0.500026  0.499957  1
  W  W27  1  0.583333  0.624936  0.499885  1
  W  W28  1  0.666886  0.749761  0.499790  1
  W  W29  1  0.750365  0.874483  0.500202  1
  W  W30  1  0.332719  -0.000288  0.500236  1
  W  W31  1  0.416404  0.124696  0.499954  1
  W  W32  1  0.499885  0.249843  0.499978  1
  W  W33  1  0.583333  0.374973  0.500008  1
  W  W34  1  0.666678  0.500026  0.499957  1
  W  W35  1  0.749864  0.624927  0.499836  1
  W  W36  1  0.833736  0.749793  0.499980  1
  W  W37  1  0.918786  0.873901  0.501783  1
  W  W38  1  0.499733  -0.000472  0.500075  1
  W  W39  1  0.583333  0.124634  0.499988  1
  W  W40  1  0.666782  0.249843  0.499978  1
  W  W41  1  0.750073  0.375125  0.499956  1
  W  W42  1  0.833402  0.500387  0.499855  1
  W  W43  1  0.916716  0.625491  0.499972  1
  W  W44  1  0.666933  -0.000472  0.500075  1
  W  W45  1  0.750262  0.124696  0.499954  1
  W  W46  1  0.833525  0.250069  0.499921  1
  W  W47  1  0.916768  0.375433  0.499959  1
  W  W48  1  0.833948  -0.000288  0.500236  1
  W  W49  1  0.916995  0.124881  0.499842  1
  S  S50  1  0.165804  0.915034  0.390593  1
  S  S51  1  0.083333  0.543304  0.390499  1
  S  S52  1  0.165473  0.668208  0.390578  1
  S  S53  1  0.247966  0.791813  0.390610  1
  S  S54  1  0.331888  0.915815  0.390524  1
  S  S55  1  0.083333  0.292190  0.389348  1
  S  S56  1  0.166550  0.417396  0.389417  1
  S  S57  1  0.249809  0.542129  0.389196  1
  S  S58  1  0.333491  0.666599  0.389173  1
  S  S59  1  0.416290  0.791519  0.389170  1
  S  S60  1  0.499628  0.916243  0.389352  1
  S  S61  1  0.083333  0.041892  0.389183  1
  S  S62  1  0.166613  0.166903  0.389140  1
  S  S63  1  0.249913  0.291991  0.389278  1
  S  S64  1  0.333270  0.416955  0.389280  1
  S  S65  1  0.416707  0.541682  0.389075  1
  S  S66  1  0.500028  0.666545  0.388986  1
  S  S67  1  0.583333  0.791396  0.389157  1
  S  S68  1  0.667038  0.916243  0.389352  1
  S  S69  1  0.249733  0.041347  0.389245  1
  S  S70  1  0.333129  0.166559  0.389325  1
  S  S71  1  0.416575  0.291673  0.389393  1
  S  S72  1  0.499995  0.416663  0.389334  1
  S  S73  1  0.583333  0.541618  0.389184  1
  S  S74  1  0.666638  0.666545  0.388986  1
  S  S75  1  0.750377  0.791519  0.389170  1
  S  S76  1  0.834779  0.915815  0.390524  1
  S  S77  1  0.416250  0.041152  0.389459  1
  S  S78  1  0.499884  0.166364  0.389438  1
  S  S79  1  0.583333  0.291530  0.389497  1
  S  S80  1  0.666672  0.416663  0.389334  1
  S  S81  1  0.749959  0.541682  0.389075  1
  S  S82  1  0.833175  0.666598  0.389173  1
  S  S83  1  0.918701  0.791813  0.390610  1
  S  S84  1  0.000863  0.915034  0.390593  1
  S  S85  1  0.583333  0.041153  0.389486  1
  S  S86  1  0.666783  0.166364  0.389438  1
  S  S87  1  0.750091  0.291673  0.389393  1
  S  S88  1  0.833396  0.416955  0.389280  1
  S  S89  1  0.916858  0.542129  0.389196  1
  S  S90  1  0.001193  0.668208  0.390578  1
  S  S91  1  0.750416  0.041152  0.389459  1
  S  S92  1  0.833538  0.166559  0.389325  1
  S  S93  1  0.916753  0.291991  0.389278  1
  S  S94  1  0.000117  0.417396  0.389417  1
  S  S95  1  0.916933  0.041347  0.389245  1
  S  S96  1  0.000054  0.166903  0.389140  1
  S  S97  1  0.083333  0.791698  0.614185  1
  S  S98  1  0.165626  0.917169  0.613522  1
  S  S99  1  0.083333  0.542424  0.610885  1
  S  S100  1  0.167675  0.667271  0.613547  1
  S  S101  1  0.249978  0.790617  0.613538  1
  S  S102  1  0.332791  0.916245  0.610854  1
  S  S103  1  0.083333  0.292086  0.610630  1
  S  S104  1  0.166705  0.417214  0.610809  1
  S  S105  1  0.250178  0.542172  0.610900  1
  S  S106  1  0.333461  0.666614  0.610734  1
  S  S107  1  0.416469  0.791223  0.610859  1
  S  S108  1  0.499880  0.916195  0.610758  1
  S  S109  1  0.083333  0.041843  0.610669  1
  S  S110  1  0.166579  0.166867  0.610618  1
  S  S111  1  0.249921  0.291972  0.610585  1
  S  S112  1  0.333277  0.416995  0.610564  1
  S  S113  1  0.416696  0.541747  0.610724  1
  S  S114  1  0.500018  0.666562  0.610700  1
  S  S115  1  0.583333  0.791333  0.610490  1
  S  S116  1  0.666787  0.916195  0.610759  1
  S  S117  1  0.249508  0.041599  0.610830  1
  S  S118  1  0.333069  0.166566  0.610475  1
  S  S119  1  0.416531  0.291674  0.610544  1
  S  S120  1  0.499961  0.416687  0.610654  1
  S  S121  1  0.583333  0.541665  0.610697  1
  S  S122  1  0.666648  0.666562  0.610700  1
  S  S123  1  0.750198  0.791223  0.610859  1
  S  S124  1  0.833876  0.916245  0.610854  1
  S  S125  1  0.416353  0.041323  0.610729  1
  S  S126  1  0.499868  0.166361  0.610517  1
  S  S127  1  0.583333  0.291516  0.610552  1
  S  S128  1  0.666706  0.416687  0.610654  1
  S  S129  1  0.749971  0.541747  0.610724  1
  S  S130  1  0.833206  0.666614  0.610734  1
  S  S131  1  0.916689  0.790617  0.613538  1
  S  S132  1  0.001041  0.917169  0.613522  1
  S  S133  1  0.583333  0.041209  0.610577  1
  S  S134  1  0.666798  0.166361  0.610517  1
  S  S135  1  0.750136  0.291674  0.610544  1
  S  S136  1  0.833389  0.416995  0.610564  1
  S  S137  1  0.916489  0.542172  0.610900  1
  S  S138  1  -0.001008  0.667271  0.613547  1
  S  S139  1  0.750313  0.041323  0.610729  1
  S  S140  1  0.833598  0.166566  0.610475  1
  S  S141  1  0.916746  0.291972  0.610585  1
  S  S142  1  -0.000038  0.417214  0.610809  1
  S  S143  1  0.917159  0.041599  0.610830  1
  S  S144  1  0.000088  0.166867  0.610618  1
