# 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  0.083339  0.797630  0.366624  1
  W  W2  1  0.002193  0.748008  0.503376  1
  W  W3  1  0.083332  0.877632  0.505256  1
  W  W4  1  -0.000138  0.499995  0.500503  1
  W  W5  1  0.083334  0.625845  0.502018  1
  W  W6  1  0.164476  0.748006  0.503378  1
  W  W7  1  0.247992  0.874605  0.500890  1
  W  W8  1  -0.000041  0.250291  0.499900  1
  W  W9  1  0.083333  0.375197  0.500192  1
  W  W10  1  0.166805  0.499995  0.500504  1
  W  W11  1  0.249645  0.624922  0.499942  1
  W  W12  1  0.332384  0.749798  0.499334  1
  W  W13  1  0.416204  0.874586  0.499570  1
  W  W14  1  0.000012  0.000435  0.500599  1
  W  W15  1  0.083333  0.125555  0.500039  1
  W  W16  1  0.166708  0.250291  0.499900  1
  W  W17  1  0.250054  0.375107  0.499995  1
  W  W18  1  0.333417  0.500037  0.499886  1
  W  W19  1  0.416606  0.624886  0.499509  1
  W  W20  1  0.499661  0.749808  0.499301  1
  W  W21  1  0.583333  0.874700  0.499580  1
  W  W22  1  0.166655  0.000435  0.500599  1
  W  W23  1  0.249958  0.125230  0.499866  1
  W  W24  1  0.333364  0.250102  0.499872  1
  W  W25  1  0.416745  0.374995  0.499905  1
  W  W26  1  0.500013  0.499989  0.499809  1
  W  W27  1  0.583333  0.624962  0.499543  1
  W  W28  1  0.667006  0.749808  0.499301  1
  W  W29  1  0.750462  0.874586  0.499570  1
  W  W30  1  0.332936  -0.000070  0.499964  1
  W  W31  1  0.416598  0.124832  0.499902  1
  W  W32  1  0.499987  0.249874  0.499961  1
  W  W33  1  0.583333  0.374952  0.499962  1
  W  W34  1  0.666654  0.499989  0.499809  1
  W  W35  1  0.750061  0.624886  0.499508  1
  W  W36  1  0.834283  0.749798  0.499334  1
  W  W37  1  0.918675  0.874606  0.500891  1
  W  W38  1  0.499818  -0.000346  0.499855  1
  W  W39  1  0.583333  0.124762  0.499941  1
  W  W40  1  0.666680  0.249874  0.499961  1
  W  W41  1  0.749922  0.374995  0.499905  1
  W  W42  1  0.833251  0.500038  0.499886  1
  W  W43  1  0.917022  0.624922  0.499941  1
  W  W44  1  0.666849  -0.000346  0.499856  1
  W  W45  1  0.750068  0.124832  0.499903  1
  W  W46  1  0.833303  0.250102  0.499872  1
  W  W47  1  0.916613  0.375107  0.499995  1
  W  W48  1  0.833730  -0.000070  0.499965  1
  W  W49  1  0.916708  0.125231  0.499866  1
  S  S50  1  0.165791  0.916449  0.390106  1
  S  S51  1  0.083334  0.542242  0.390625  1
  S  S52  1  0.165098  0.666578  0.389866  1
  S  S53  1  0.246341  0.791354  0.390447  1
  S  S54  1  0.332044  0.916099  0.389869  1
  S  S55  1  0.083333  0.291998  0.389194  1
  S  S56  1  0.166624  0.416843  0.389427  1
  S  S57  1  0.249798  0.541516  0.389357  1
  S  S58  1  0.333009  0.666405  0.388882  1
  S  S59  1  0.415949  0.791474  0.388617  1
  S  S60  1  0.499729  0.916393  0.389004  1
  S  S61  1  0.083333  0.042189  0.389734  1
  S  S62  1  0.166678  0.167006  0.389100  1
  S  S63  1  0.250064  0.291846  0.389089  1
  S  S64  1  0.333398  0.416669  0.389170  1
  S  S65  1  0.416672  0.541528  0.388900  1
  S  S66  1  0.499923  0.666510  0.388677  1
  S  S67  1  0.583333  0.791468  0.388786  1
  S  S68  1  0.666938  0.916393  0.389004  1
  S  S69  1  0.249828  0.041783  0.389263  1
  S  S70  1  0.333393  0.166730  0.389146  1
  S  S71  1  0.416748  0.291645  0.389141  1
  S  S72  1  0.500059  0.416595  0.389123  1
  S  S73  1  0.583333  0.541574  0.388964  1
  S  S74  1  0.666744  0.666510  0.388677  1
  S  S75  1  0.750717  0.791474  0.388617  1
  S  S76  1  0.834623  0.916099  0.389869  1
  S  S77  1  0.416444  0.041390  0.389198  1
  S  S78  1  0.499991  0.166483  0.389219  1
  S  S79  1  0.583333  0.291547  0.389248  1
  S  S80  1  0.666608  0.416595  0.389123  1
  S  S81  1  0.749995  0.541528  0.388900  1
  S  S82  1  0.833658  0.666406  0.388881  1
  S  S83  1  0.920325  0.791355  0.390447  1
  S  S84  1  0.000875  0.916450  0.390106  1
  S  S85  1  0.583333  0.041360  0.389275  1
  S  S86  1  0.666676  0.166483  0.389219  1
  S  S87  1  0.749918  0.291646  0.389141  1
  S  S88  1  0.833268  0.416669  0.389170  1
  S  S89  1  0.916869  0.541517  0.389356  1
  S  S90  1  0.001570  0.666579  0.389865  1
  S  S91  1  0.750222  0.041390  0.389198  1
  S  S92  1  0.833274  0.166730  0.389146  1
  S  S93  1  0.916602  0.291846  0.389089  1
  S  S94  1  0.000043  0.416843  0.389426  1
  S  S95  1  0.916838  0.041783  0.389264  1
  S  S96  1  -0.000011  0.167006  0.389100  1
  S  S97  1  0.083334  0.792335  0.612418  1
  S  S98  1  0.167370  0.918031  0.613974  1
  S  S99  1  0.083333  0.541402  0.611503  1
  S  S100  1  0.167619  0.666455  0.613632  1
  S  S101  1  0.249150  0.790831  0.611710  1
  S  S102  1  0.332805  0.916245  0.610215  1
  S  S103  1  0.083333  0.291818  0.610758  1
  S  S104  1  0.166798  0.416588  0.611049  1
  S  S105  1  0.250299  0.541610  0.610919  1
  S  S106  1  0.333300  0.666736  0.610153  1
  S  S107  1  0.416014  0.791225  0.610029  1
  S  S108  1  0.499758  0.916180  0.610348  1
  S  S109  1  0.083333  0.042413  0.611046  1
  S  S110  1  0.166751  0.167061  0.610742  1
  S  S111  1  0.250088  0.291781  0.610717  1
  S  S112  1  0.333476  0.416700  0.610684  1
  S  S113  1  0.416761  0.541746  0.610584  1
  S  S114  1  0.499909  0.666634  0.610241  1
  S  S115  1  0.583333  0.791295  0.610027  1
  S  S116  1  0.666908  0.916180  0.610348  1
  S  S117  1  0.250127  0.042111  0.610905  1
  S  S118  1  0.333383  0.166765  0.610616  1
  S  S119  1  0.416708  0.291653  0.610697  1
  S  S120  1  0.500034  0.416682  0.610692  1
  S  S121  1  0.583333  0.541735  0.610514  1
  S  S122  1  0.666758  0.666633  0.610241  1
  S  S123  1  0.750652  0.791225  0.610029  1
  S  S124  1  0.833861  0.916245  0.610216  1
  S  S125  1  0.416509  0.041407  0.610625  1
  S  S126  1  0.499978  0.166464  0.610677  1
  S  S127  1  0.583333  0.291550  0.610709  1
  S  S128  1  0.666633  0.416682  0.610692  1
  S  S129  1  0.749906  0.541746  0.610583  1
  S  S130  1  0.833367  0.666737  0.610152  1
  S  S131  1  0.917517  0.790830  0.611710  1
  S  S132  1  -0.000704  0.918031  0.613975  1
  S  S133  1  0.583333  0.041297  0.610546  1
  S  S134  1  0.666688  0.166464  0.610677  1
  S  S135  1  0.749959  0.291653  0.610697  1
  S  S136  1  0.833190  0.416700  0.610684  1
  S  S137  1  0.916368  0.541610  0.610918  1
  S  S138  1  -0.000952  0.666456  0.613630  1
  S  S139  1  0.750157  0.041407  0.610626  1
  S  S140  1  0.833283  0.166766  0.610616  1
  S  S141  1  0.916578  0.291781  0.610717  1
  S  S142  1  -0.000132  0.416588  0.611049  1
  S  S143  1  0.916539  0.042111  0.610905  1
  S  S144  1  -0.000084  0.167062  0.610742  1
