# 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  0.791666  0.360325  1
  W  W2  1  0.000590  0.750302  0.504702  1
  W  W3  1  0.083333  0.874471  0.504659  1
  W  W4  1  -0.000148  0.500626  0.499976  1
  W  W5  1  0.083333  0.627395  0.501547  1
  W  W6  1  0.166077  0.750302  0.504702  1
  W  W7  1  0.247736  0.873824  0.501556  1
  W  W8  1  0.000030  0.250399  0.499902  1
  W  W9  1  0.083333  0.375664  0.500052  1
  W  W10  1  0.166815  0.500626  0.499976  1
  W  W11  1  0.249886  0.625445  0.499605  1
  W  W12  1  0.332906  0.749812  0.499625  1
  W  W13  1  0.416397  0.874510  0.499948  1
  W  W14  1  0.000356  -0.000190  0.499576  1
  W  W15  1  0.083333  0.125434  0.499611  1
  W  W16  1  0.166637  0.250399  0.499902  1
  W  W17  1  0.249923  0.375413  0.499922  1
  W  W18  1  0.333342  0.500285  0.499672  1
  W  W19  1  0.416867  0.624798  0.499604  1
  W  W20  1  0.499824  0.749678  0.499581  1
  W  W21  1  0.583333  0.874664  0.499822  1
  W  W22  1  0.166311  -0.000190  0.499576  1
  W  W23  1  0.249717  0.125022  0.499662  1
  W  W24  1  0.333203  0.250145  0.499920  1
  W  W25  1  0.416653  0.375030  0.499954  1
  W  W26  1  0.500005  0.499882  0.499901  1
  W  W27  1  0.583333  0.624802  0.499749  1
  W  W28  1  0.666842  0.749678  0.499581  1
  W  W29  1  0.750270  0.874510  0.499948  1
  W  W30  1  0.332812  -0.000161  0.499979  1
  W  W31  1  0.416466  0.124775  0.499940  1
  W  W32  1  0.499905  0.249836  0.500014  1
  W  W33  1  0.583333  0.374887  0.500036  1
  W  W34  1  0.666662  0.499882  0.499901  1
  W  W35  1  0.749800  0.624798  0.499604  1
  W  W36  1  0.833760  0.749812  0.499625  1
  W  W37  1  0.918931  0.873824  0.501556  1
  W  W38  1  0.499742  -0.000410  0.500033  1
  W  W39  1  0.583333  0.124724  0.500023  1
  W  W40  1  0.666761  0.249836  0.500014  1
  W  W41  1  0.750013  0.375030  0.499954  1
  W  W42  1  0.833324  0.500285  0.499672  1
  W  W43  1  0.916781  0.625445  0.499605  1
  W  W44  1  0.666925  -0.000410  0.500033  1
  W  W45  1  0.750200  0.124775  0.499940  1
  W  W46  1  0.833464  0.250145  0.499920  1
  W  W47  1  0.916744  0.375413  0.499922  1
  W  W48  1  0.833855  -0.000161  0.499978  1
  W  W49  1  0.916950  0.125022  0.499662  1
  S  S50  1  0.165637  0.914941  0.390393  1
  S  S51  1  0.083333  0.543379  0.390284  1
  S  S52  1  0.165428  0.668387  0.390347  1
  S  S53  1  0.247745  0.791736  0.390385  1
  S  S54  1  0.331806  0.915810  0.390351  1
  S  S55  1  0.083333  0.292262  0.389251  1
  S  S56  1  0.166564  0.417263  0.389215  1
  S  S57  1  0.249871  0.541973  0.388947  1
  S  S58  1  0.333544  0.666524  0.388927  1
  S  S59  1  0.416392  0.791529  0.388952  1
  S  S60  1  0.499702  0.916367  0.389199  1
  S  S61  1  0.083333  0.042041  0.388937  1
  S  S62  1  0.166654  0.167085  0.388931  1
  S  S63  1  0.249979  0.292012  0.389134  1
  S  S64  1  0.333358  0.416811  0.389124  1
  S  S65  1  0.416806  0.541512  0.388854  1
  S  S66  1  0.500090  0.666433  0.388780  1
  S  S67  1  0.583333  0.791404  0.389010  1
  S  S68  1  0.666965  0.916367  0.389199  1
  S  S69  1  0.249854  0.041516  0.388994  1
  S  S70  1  0.333242  0.166702  0.389181  1
  S  S71  1  0.416647  0.291645  0.389211  1
  S  S72  1  0.500043  0.416509  0.389174  1
  S  S73  1  0.583333  0.541439  0.389056  1
  S  S74  1  0.666576  0.666433  0.388780  1
  S  S75  1  0.750275  0.791529  0.388953  1
  S  S76  1  0.834861  0.915811  0.390351  1
  S  S77  1  0.416386  0.041301  0.389289  1
  S  S78  1  0.499936  0.166441  0.389279  1
  S  S79  1  0.583333  0.291476  0.389329  1
  S  S80  1  0.666624  0.416509  0.389174  1
  S  S81  1  0.749860  0.541512  0.388854  1
  S  S82  1  0.833122  0.666524  0.388927  1
  S  S83  1  0.918922  0.791735  0.390385  1
  S  S84  1  0.001030  0.914941  0.390392  1
  S  S85  1  0.583333  0.041272  0.389420  1
  S  S86  1  0.666731  0.166441  0.389279  1
  S  S87  1  0.750020  0.291645  0.389211  1
  S  S88  1  0.833308  0.416811  0.389124  1
  S  S89  1  0.916795  0.541973  0.388947  1
  S  S90  1  0.001238  0.668387  0.390347  1
  S  S91  1  0.750281  0.041301  0.389289  1
  S  S92  1  0.833425  0.166702  0.389181  1
  S  S93  1  0.916687  0.292012  0.389134  1
  S  S94  1  0.000102  0.417263  0.389215  1
  S  S95  1  0.916812  0.041516  0.388993  1
  S  S96  1  0.000013  0.167085  0.388931  1
  S  S97  1  0.083333  0.791718  0.614749  1
  S  S98  1  0.165725  0.917402  0.613335  1
  S  S99  1  0.083333  0.542438  0.610467  1
  S  S100  1  0.167805  0.667090  0.613397  1
  S  S101  1  0.250201  0.790604  0.613393  1
  S  S102  1  0.332763  0.916271  0.610423  1
  S  S103  1  0.083333  0.292151  0.610676  1
  S  S104  1  0.166740  0.417233  0.610803  1
  S  S105  1  0.250220  0.542091  0.610579  1
  S  S106  1  0.333525  0.666535  0.610285  1
  S  S107  1  0.416509  0.791212  0.610513  1
  S  S108  1  0.499870  0.916221  0.610698  1
  S  S109  1  0.083333  0.041979  0.610210  1
  S  S110  1  0.166586  0.166953  0.610547  1
  S  S111  1  0.249957  0.292001  0.610697  1
  S  S112  1  0.333344  0.416943  0.610585  1
  S  S113  1  0.416730  0.541655  0.610637  1
  S  S114  1  0.500019  0.666455  0.610535  1
  S  S115  1  0.583333  0.791269  0.610325  1
  S  S116  1  0.666797  0.916221  0.610698  1
  S  S117  1  0.249553  0.041719  0.610506  1
  S  S118  1  0.333087  0.166647  0.610505  1
  S  S119  1  0.416583  0.291653  0.610756  1
  S  S120  1  0.499986  0.416577  0.610803  1
  S  S121  1  0.583333  0.541533  0.610690  1
  S  S122  1  0.666648  0.666455  0.610535  1
  S  S123  1  0.750158  0.791212  0.610513  1
  S  S124  1  0.833904  0.916271  0.610423  1
  S  S125  1  0.416346  0.041407  0.610720  1
  S  S126  1  0.499904  0.166417  0.610725  1
  S  S127  1  0.583333  0.291466  0.610780  1
  S  S128  1  0.666680  0.416577  0.610803  1
  S  S129  1  0.749937  0.541655  0.610637  1
  S  S130  1  0.833142  0.666535  0.610285  1
  S  S131  1  0.916465  0.790604  0.613393  1
  S  S132  1  0.000942  0.917402  0.613335  1
  S  S133  1  0.583333  0.041286  0.610628  1
  S  S134  1  0.666763  0.166417  0.610725  1
  S  S135  1  0.750084  0.291653  0.610756  1
  S  S136  1  0.833322  0.416943  0.610585  1
  S  S137  1  0.916446  0.542091  0.610579  1
  S  S138  1  -0.001138  0.667090  0.613397  1
  S  S139  1  0.750321  0.041407  0.610720  1
  S  S140  1  0.833580  0.166647  0.610505  1
  S  S141  1  0.916709  0.292001  0.610697  1
  S  S142  1  -0.000073  0.417233  0.610803  1
  S  S143  1  0.917114  0.041719  0.610506  1
  S  S144  1  0.000081  0.166953  0.610547  1
