# generated using pymatgen
data_ZnW48S95
_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   ZnW48S95
_chemical_formula_sum   'Zn1 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
  Zn  Zn1  1  0.083333  0.791674  0.372046  1
  W  W2  1  -0.001874  0.749063  0.502882  1
  W  W3  1  0.083333  0.876895  0.502878  1
  W  W4  1  -0.000111  0.499956  0.499907  1
  W  W5  1  0.083333  0.625684  0.500505  1
  W  W6  1  0.168541  0.749063  0.502882  1
  W  W7  1  0.249314  0.874666  0.500503  1
  W  W8  1  -0.000021  0.250011  0.500011  1
  W  W9  1  0.083333  0.375012  0.499995  1
  W  W10  1  0.166778  0.499956  0.499907  1
  W  W11  1  0.249927  0.624848  0.500083  1
  W  W12  1  0.333447  0.750132  0.500089  1
  W  W13  1  0.416763  0.874944  0.499911  1
  W  W14  1  -0.000190  0.000029  0.500088  1
  W  W15  1  0.083333  0.125113  0.499946  1
  W  W16  1  0.166687  0.250011  0.500011  1
  W  W17  1  0.249983  0.374983  0.499983  1
  W  W18  1  0.333354  0.499981  0.499888  1
  W  W19  1  0.416772  0.624943  0.499947  1
  W  W20  1  0.500000  0.749997  0.499877  1
  W  W21  1  0.583333  0.875048  0.499961  1
  W  W22  1  0.166857  0.000029  0.500088  1
  W  W23  1  0.250008  0.125027  0.499890  1
  W  W24  1  0.333343  0.250021  0.499999  1
  W  W25  1  0.416686  0.374983  0.499998  1
  W  W26  1  0.500001  0.499978  0.500005  1
  W  W27  1  0.583333  0.625004  0.499998  1
  W  W28  1  0.666667  0.749997  0.499877  1
  W  W29  1  0.749903  0.874944  0.499911  1
  W  W30  1  0.333316  0.000109  0.499910  1
  W  W31  1  0.416695  0.124998  0.499981  1
  W  W32  1  0.499998  0.249997  0.500007  1
  W  W33  1  0.583333  0.375000  0.500007  1
  W  W34  1  0.666665  0.499978  0.500005  1
  W  W35  1  0.749894  0.624943  0.499947  1
  W  W36  1  0.833220  0.750132  0.500089  1
  W  W37  1  0.917353  0.874666  0.500503  1
  W  W38  1  0.499985  -0.000001  0.499999  1
  W  W39  1  0.583333  0.125018  0.500017  1
  W  W40  1  0.666668  0.249997  0.500007  1
  W  W41  1  0.749980  0.374983  0.499998  1
  W  W42  1  0.833313  0.499981  0.499888  1
  W  W43  1  0.916740  0.624848  0.500083  1
  W  W44  1  0.666682  -0.000001  0.499999  1
  W  W45  1  0.749971  0.124998  0.499981  1
  W  W46  1  0.833324  0.250021  0.499999  1
  W  W47  1  0.916684  0.374983  0.499983  1
  W  W48  1  0.833351  0.000109  0.499910  1
  W  W49  1  0.916659  0.125027  0.499890  1
  S  S50  1  0.166282  0.916006  0.389445  1
  S  S51  1  0.083333  0.542045  0.389723  1
  S  S52  1  0.166191  0.667289  0.389455  1
  S  S53  1  0.249133  0.791713  0.389455  1
  S  S54  1  0.332943  0.916478  0.389722  1
  S  S55  1  0.083333  0.291667  0.389281  1
  S  S56  1  0.166644  0.416635  0.389184  1
  S  S57  1  0.249984  0.541631  0.389096  1
  S  S58  1  0.333401  0.666629  0.389407  1
  S  S59  1  0.416670  0.791704  0.389088  1
  S  S60  1  0.500000  0.916710  0.389173  1
  S  S61  1  0.083333  0.041742  0.389403  1
  S  S62  1  0.166669  0.166717  0.389193  1
  S  S63  1  0.250006  0.291661  0.389237  1
  S  S64  1  0.333340  0.416615  0.389232  1
  S  S65  1  0.416712  0.541634  0.389191  1
  S  S66  1  0.500036  0.666640  0.389187  1
  S  S67  1  0.583333  0.791705  0.389208  1
  S  S68  1  0.666666  0.916710  0.389173  1
  S  S69  1  0.250034  0.041671  0.389097  1
  S  S70  1  0.333379  0.166692  0.389233  1
  S  S71  1  0.416677  0.291662  0.389243  1
  S  S72  1  0.500008  0.416655  0.389244  1
  S  S73  1  0.583333  0.541654  0.389272  1
  S  S74  1  0.666630  0.666640  0.389187  1
  S  S75  1  0.749997  0.791704  0.389088  1
  S  S76  1  0.833724  0.916478  0.389722  1
  S  S77  1  0.416700  0.041664  0.389187  1
  S  S78  1  0.500011  0.166672  0.389242  1
  S  S79  1  0.583333  0.291663  0.389260  1
  S  S80  1  0.666659  0.416655  0.389244  1
  S  S81  1  0.749955  0.541634  0.389191  1
  S  S82  1  0.833266  0.666629  0.389407  1
  S  S83  1  0.917533  0.791713  0.389455  1
  S  S84  1  0.000385  0.916006  0.389445  1
  S  S85  1  0.583333  0.041672  0.389287  1
  S  S86  1  0.666656  0.166672  0.389242  1
  S  S87  1  0.749989  0.291662  0.389243  1
  S  S88  1  0.833327  0.416615  0.389232  1
  S  S89  1  0.916683  0.541631  0.389096  1
  S  S90  1  0.000476  0.667289  0.389455  1
  S  S91  1  0.749967  0.041664  0.389187  1
  S  S92  1  0.833288  0.166692  0.389233  1
  S  S93  1  0.916661  0.291661  0.389237  1
  S  S94  1  0.000023  0.416635  0.389184  1
  S  S95  1  0.916633  0.041671  0.389097  1
  S  S96  1  -0.000002  0.166717  0.389193  1
  S  S97  1  0.083333  0.791675  0.608967  1
  S  S98  1  0.167240  0.917358  0.612554  1
  S  S99  1  0.083333  0.541727  0.610437  1
  S  S100  1  0.167067  0.665891  0.612551  1
  S  S101  1  0.250963  0.791747  0.612536  1
  S  S102  1  0.333267  0.916636  0.610440  1
  S  S103  1  0.083333  0.291670  0.610729  1
  S  S104  1  0.166674  0.416668  0.610726  1
  S  S105  1  0.250103  0.541530  0.610736  1
  S  S106  1  0.333409  0.666625  0.610539  1
  S  S107  1  0.416845  0.791655  0.610738  1
  S  S108  1  0.500002  0.916664  0.610735  1
  S  S109  1  0.083333  0.041742  0.610543  1
  S  S110  1  0.166684  0.166681  0.610729  1
  S  S111  1  0.250009  0.291670  0.610754  1
  S  S112  1  0.333346  0.416655  0.610686  1
  S  S113  1  0.416674  0.541642  0.610726  1
  S  S114  1  0.500018  0.666674  0.610721  1
  S  S115  1  0.583333  0.791659  0.610636  1
  S  S116  1  0.666664  0.916664  0.610735  1
  S  S117  1  0.250084  0.041815  0.610744  1
  S  S118  1  0.333340  0.166679  0.610688  1
  S  S119  1  0.416673  0.291663  0.610749  1
  S  S120  1  0.500002  0.416655  0.610750  1
  S  S121  1  0.583333  0.541658  0.610732  1
  S  S122  1  0.666649  0.666674  0.610721  1
  S  S123  1  0.749822  0.791655  0.610738  1
  S  S124  1  0.833399  0.916636  0.610440  1
  S  S125  1  0.416658  0.041668  0.610729  1
  S  S126  1  0.500001  0.166667  0.610752  1
  S  S127  1  0.583333  0.291664  0.610737  1
  S  S128  1  0.666665  0.416655  0.610750  1
  S  S129  1  0.749992  0.541642  0.610726  1
  S  S130  1  0.833258  0.666625  0.610539  1
  S  S131  1  0.915703  0.791747  0.612536  1
  S  S132  1  -0.000573  0.917358  0.612554  1
  S  S133  1  0.583333  0.041669  0.610723  1
  S  S134  1  0.666665  0.166667  0.610752  1
  S  S135  1  0.749994  0.291663  0.610749  1
  S  S136  1  0.833321  0.416655  0.610686  1
  S  S137  1  0.916564  0.541530  0.610736  1
  S  S138  1  -0.000401  0.665891  0.612551  1
  S  S139  1  0.750009  0.041668  0.610729  1
  S  S140  1  0.833327  0.166679  0.610688  1
  S  S141  1  0.916658  0.291670  0.610754  1
  S  S142  1  -0.000007  0.416668  0.610726  1
  S  S143  1  0.916582  0.041815  0.610744  1
  S  S144  1  -0.000017  0.166681  0.610729  1
