# 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  0.791671  0.340216  1
  W  W2  1  0.000517  0.750307  0.504431  1
  W  W3  1  0.083333  0.874494  0.504425  1
  W  W4  1  -0.000091  0.500817  0.500273  1
  W  W5  1  0.083333  0.627284  0.501772  1
  W  W6  1  0.166150  0.750307  0.504431  1
  W  W7  1  0.247860  0.873885  0.501775  1
  W  W8  1  0.000081  0.250275  0.499939  1
  W  W9  1  0.083333  0.375642  0.500109  1
  W  W10  1  0.166757  0.500817  0.500273  1
  W  W11  1  0.249907  0.625553  0.499987  1
  W  W12  1  0.332881  0.749832  0.499988  1
  W  W13  1  0.416235  0.874447  0.500222  1
  W  W14  1  0.000425  -0.000303  0.499992  1
  W  W15  1  0.083333  0.125136  0.499834  1
  W  W16  1  0.166585  0.250275  0.499939  1
  W  W17  1  0.249857  0.375467  0.499962  1
  W  W18  1  0.333225  0.500472  0.499864  1
  W  W19  1  0.416724  0.625027  0.499837  1
  W  W20  1  0.499763  0.749798  0.499811  1
  W  W21  1  0.583333  0.874595  0.499939  1
  W  W22  1  0.166242  -0.000303  0.499992  1
  W  W23  1  0.249615  0.124795  0.499859  1
  W  W24  1  0.333079  0.250018  0.499924  1
  W  W25  1  0.416534  0.375182  0.499959  1
  W  W26  1  0.499968  0.500131  0.499957  1
  W  W27  1  0.583333  0.625033  0.499885  1
  W  W28  1  0.666903  0.749798  0.499811  1
  W  W29  1  0.750432  0.874447  0.500222  1
  W  W30  1  0.332652  -0.000376  0.500259  1
  W  W31  1  0.416343  0.124620  0.499973  1
  W  W32  1  0.499865  0.249823  0.499981  1
  W  W33  1  0.583333  0.375023  0.500013  1
  W  W34  1  0.666699  0.500131  0.499957  1
  W  W35  1  0.749943  0.625027  0.499837  1
  W  W36  1  0.833786  0.749832  0.499988  1
  W  W37  1  0.918807  0.873885  0.501775  1
  W  W38  1  0.499704  -0.000548  0.500087  1
  W  W39  1  0.583333  0.124555  0.499991  1
  W  W40  1  0.666802  0.249823  0.499981  1
  W  W41  1  0.750132  0.375182  0.499959  1
  W  W42  1  0.833442  0.500472  0.499864  1
  W  W43  1  0.916760  0.625553  0.499987  1
  W  W44  1  0.666963  -0.000548  0.500087  1
  W  W45  1  0.750323  0.124620  0.499973  1
  W  W46  1  0.833588  0.250018  0.499924  1
  W  W47  1  0.916810  0.375467  0.499962  1
  W  W48  1  0.834015  -0.000376  0.500259  1
  W  W49  1  0.917052  0.124795  0.499859  1
  S  S50  1  0.165802  0.914992  0.390526  1
  S  S51  1  0.083333  0.543362  0.390497  1
  S  S52  1  0.165452  0.668232  0.390510  1
  S  S53  1  0.247949  0.791832  0.390532  1
  S  S54  1  0.331855  0.915768  0.390509  1
  S  S55  1  0.083333  0.292182  0.389414  1
  S  S56  1  0.166527  0.417472  0.389486  1
  S  S57  1  0.249754  0.542224  0.389218  1
  S  S58  1  0.333413  0.666672  0.389150  1
  S  S59  1  0.416236  0.791518  0.389175  1
  S  S60  1  0.499592  0.916160  0.389402  1
  S  S61  1  0.083333  0.041769  0.389181  1
  S  S62  1  0.166581  0.166808  0.389189  1
  S  S63  1  0.249853  0.291991  0.389362  1
  S  S64  1  0.333209  0.417038  0.389353  1
  S  S65  1  0.416642  0.541796  0.389121  1
  S  S66  1  0.499986  0.666620  0.389015  1
  S  S67  1  0.583333  0.791396  0.389171  1
  S  S68  1  0.667075  0.916160  0.389402  1
  S  S69  1  0.249678  0.041239  0.389276  1
  S  S70  1  0.333052  0.166478  0.389408  1
  S  S71  1  0.416520  0.291678  0.389526  1
  S  S72  1  0.499963  0.416750  0.389454  1
  S  S73  1  0.583333  0.541735  0.389248  1
  S  S74  1  0.666681  0.666620  0.389015  1
  S  S75  1  0.750430  0.791518  0.389175  1
  S  S76  1  0.834812  0.915768  0.390509  1
  S  S77  1  0.416187  0.041054  0.389532  1
  S  S78  1  0.499835  0.166289  0.389563  1
  S  S79  1  0.583333  0.291541  0.389630  1
  S  S80  1  0.666703  0.416750  0.389454  1
  S  S81  1  0.750024  0.541796  0.389121  1
  S  S82  1  0.833254  0.666672  0.389150  1
  S  S83  1  0.918718  0.791832  0.390533  1
  S  S84  1  0.000865  0.914992  0.390526  1
  S  S85  1  0.583333  0.041046  0.389574  1
  S  S86  1  0.666832  0.166289  0.389563  1
  S  S87  1  0.750147  0.291678  0.389526  1
  S  S88  1  0.833458  0.417038  0.389353  1
  S  S89  1  0.916913  0.542224  0.389218  1
  S  S90  1  0.001215  0.668232  0.390510  1
  S  S91  1  0.750479  0.041054  0.389532  1
  S  S92  1  0.833615  0.166478  0.389408  1
  S  S93  1  0.916813  0.291991  0.389362  1
  S  S94  1  0.000139  0.417472  0.389486  1
  S  S95  1  0.916989  0.041239  0.389276  1
  S  S96  1  0.000086  0.166808  0.389189  1
  S  S97  1  0.083333  0.791696  0.614096  1
  S  S98  1  0.165587  0.917064  0.613552  1
  S  S99  1  0.083333  0.542525  0.610939  1
  S  S100  1  0.167614  0.667360  0.613557  1
  S  S101  1  0.249885  0.790625  0.613551  1
  S  S102  1  0.332728  0.916179  0.610906  1
  S  S103  1  0.083333  0.292070  0.610565  1
  S  S104  1  0.166669  0.417284  0.610772  1
  S  S105  1  0.250138  0.542272  0.610915  1
  S  S106  1  0.333380  0.666692  0.610781  1
  S  S107  1  0.416400  0.791215  0.610893  1
  S  S108  1  0.499846  0.916126  0.610751  1
  S  S109  1  0.083333  0.041727  0.610726  1
  S  S110  1  0.166541  0.166783  0.610585  1
  S  S111  1  0.249859  0.291968  0.610487  1
  S  S112  1  0.333213  0.417071  0.610504  1
  S  S113  1  0.416640  0.541856  0.610690  1
  S  S114  1  0.499977  0.666625  0.610688  1
  S  S115  1  0.583333  0.791328  0.610518  1
  S  S116  1  0.666821  0.916126  0.610751  1
  S  S117  1  0.249450  0.041498  0.610854  1
  S  S118  1  0.332995  0.166495  0.610426  1
  S  S119  1  0.416475  0.291677  0.610407  1
  S  S120  1  0.499928  0.416775  0.610538  1
  S  S121  1  0.583333  0.541775  0.610634  1
  S  S122  1  0.666690  0.666625  0.610688  1
  S  S123  1  0.750267  0.791215  0.610893  1
  S  S124  1  0.833939  0.916179  0.610906  1
  S  S125  1  0.416300  0.041220  0.610698  1
  S  S126  1  0.499834  0.166291  0.610406  1
  S  S127  1  0.583333  0.291526  0.610425  1
  S  S128  1  0.666739  0.416775  0.610538  1
  S  S129  1  0.750027  0.541856  0.610690  1
  S  S130  1  0.833287  0.666692  0.610781  1
  S  S131  1  0.916782  0.790624  0.613551  1
  S  S132  1  0.001080  0.917064  0.613552  1
  S  S133  1  0.583333  0.041108  0.610500  1
  S  S134  1  0.666833  0.166291  0.610406  1
  S  S135  1  0.750192  0.291677  0.610407  1
  S  S136  1  0.833454  0.417071  0.610504  1
  S  S137  1  0.916529  0.542272  0.610915  1
  S  S138  1  -0.000948  0.667360  0.613557  1
  S  S139  1  0.750366  0.041220  0.610698  1
  S  S140  1  0.833672  0.166495  0.610426  1
  S  S141  1  0.916808  0.291968  0.610487  1
  S  S142  1  -0.000003  0.417284  0.610772  1
  S  S143  1  0.917217  0.041498  0.610854  1
  S  S144  1  0.000125  0.166783  0.610585  1
