# generated using pymatgen
data_ZnW47S96
_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   ZnW47S96
_chemical_formula_sum   'Zn1 W47 S96'
_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  -0.000000  0.749951  0.500000  1
  W  W2  1  0.086673  0.877427  0.500000  1
  W  W3  1  -0.000000  0.497583  0.500001  1
  W  W4  1  0.083832  0.621031  0.500000  1
  W  W5  1  0.170444  0.751499  0.500000  1
  W  W6  1  0.251808  0.876183  0.500000  1
  W  W7  1  -0.000000  0.248854  0.500002  1
  W  W8  1  0.083434  0.373407  0.500001  1
  W  W9  1  0.166535  0.498294  0.500000  1
  W  W10  1  0.249583  0.625177  0.500000  1
  W  W11  1  0.334447  0.751017  0.499999  1
  W  W12  1  0.417331  0.875955  0.499999  1
  W  W13  1  -0.000000  -0.000495  0.500000  1
  W  W14  1  0.083584  0.124424  0.500002  1
  W  W15  1  0.166900  0.249235  0.500002  1
  W  W16  1  0.250148  0.374250  0.500001  1
  W  W17  1  0.333170  0.499989  0.500000  1
  W  W18  1  0.416633  0.625440  0.499999  1
  W  W19  1  0.500000  0.750719  0.499999  1
  W  W20  1  0.582669  0.875955  0.499999  1
  W  W21  1  0.168233  0.000539  0.500001  1
  W  W22  1  0.250677  0.125253  0.500002  1
  W  W23  1  0.333596  0.250052  0.500001  1
  W  W24  1  0.416670  0.375187  0.500000  1
  W  W25  1  0.500000  0.500316  0.500000  1
  W  W26  1  0.583367  0.625440  0.500000  1
  W  W27  1  0.665553  0.751017  0.500000  1
  W  W28  1  0.748192  0.876183  0.500000  1
  W  W29  1  0.334252  0.000920  0.500000  1
  W  W30  1  0.416971  0.125637  0.500001  1
  W  W31  1  0.500000  0.250445  0.500001  1
  W  W32  1  0.583330  0.375186  0.500000  1
  W  W33  1  0.666830  0.499989  0.500000  1
  W  W34  1  0.750417  0.625177  0.500000  1
  W  W35  1  0.829556  0.751499  0.500000  1
  W  W36  1  0.913327  0.877427  0.500000  1
  W  W37  1  0.500000  0.000895  0.500000  1
  W  W38  1  0.583029  0.125637  0.500000  1
  W  W39  1  0.666404  0.250052  0.500001  1
  W  W40  1  0.749852  0.374250  0.500001  1
  W  W41  1  0.833465  0.498294  0.500001  1
  W  W42  1  0.916168  0.621031  0.500000  1
  W  W43  1  0.665748  0.000920  0.500000  1
  W  W44  1  0.749323  0.125253  0.500001  1
  W  W45  1  0.833100  0.249235  0.500001  1
  W  W46  1  0.916566  0.373407  0.500001  1
  W  W47  1  0.831767  0.000539  0.500001  1
  W  W48  1  0.916416  0.124424  0.500002  1
  S  S49  1  0.088181  0.794252  0.389617  1
  S  S50  1  0.168982  0.918108  0.388444  1
  S  S51  1  0.083531  0.538833  0.388596  1
  S  S52  1  0.165648  0.667135  0.390643  1
  S  S53  1  0.252361  0.792899  0.388569  1
  S  S54  1  0.334511  0.917739  0.389026  1
  S  S55  1  0.083396  0.290387  0.389189  1
  S  S56  1  0.166726  0.415332  0.389190  1
  S  S57  1  0.249672  0.541542  0.389539  1
  S  S58  1  0.333157  0.667050  0.389516  1
  S  S59  1  0.417246  0.792515  0.389079  1
  S  S60  1  0.500000  0.917666  0.388990  1
  S  S61  1  0.083592  0.041198  0.389401  1
  S  S62  1  0.166899  0.166114  0.389239  1
  S  S63  1  0.250117  0.291156  0.389200  1
  S  S64  1  0.333223  0.416659  0.389367  1
  S  S65  1  0.416507  0.541987  0.389508  1
  S  S66  1  0.500000  0.667152  0.389420  1
  S  S67  1  0.582754  0.792515  0.389079  1
  S  S68  1  0.665489  0.917739  0.389026  1
  S  S69  1  0.250936  0.042260  0.389030  1
  S  S70  1  0.333714  0.166995  0.389110  1
  S  S71  1  0.416712  0.291999  0.389227  1
  S  S72  1  0.500000  0.416994  0.389368  1
  S  S73  1  0.583493  0.541987  0.389508  1
  S  S74  1  0.666843  0.667049  0.389516  1
  S  S75  1  0.747639  0.792899  0.388569  1
  S  S76  1  0.831018  0.918108  0.388444  1
  S  S77  1  0.417072  0.042531  0.389015  1
  S  S78  1  0.500000  0.167321  0.389128  1
  S  S79  1  0.583288  0.291999  0.389227  1
  S  S80  1  0.666777  0.416659  0.389367  1
  S  S81  1  0.750328  0.541542  0.389540  1
  S  S82  1  0.834352  0.667135  0.390643  1
  S  S83  1  0.911818  0.794252  0.389617  1
  S  S84  1  -0.000000  0.915756  0.390518  1
  S  S85  1  0.582928  0.042531  0.389015  1
  S  S86  1  0.666286  0.166995  0.389110  1
  S  S87  1  0.749883  0.291156  0.389200  1
  S  S88  1  0.833274  0.415332  0.389190  1
  S  S89  1  0.916469  0.538834  0.388596  1
  S  S90  1  -0.000000  0.661333  0.389710  1
  S  S91  1  0.749064  0.042260  0.389030  1
  S  S92  1  0.833101  0.166114  0.389238  1
  S  S93  1  0.916604  0.290387  0.389189  1
  S  S94  1  0.000000  0.414685  0.389130  1
  S  S95  1  0.916408  0.041198  0.389401  1
  S  S96  1  -0.000000  0.165679  0.389332  1
  S  S97  1  0.088182  0.794252  0.610383  1
  S  S98  1  0.168982  0.918107  0.611556  1
  S  S99  1  0.083531  0.538834  0.611403  1
  S  S100  1  0.165648  0.667135  0.609357  1
  S  S101  1  0.252361  0.792899  0.611431  1
  S  S102  1  0.334511  0.917740  0.610975  1
  S  S103  1  0.083396  0.290387  0.610810  1
  S  S104  1  0.166726  0.415332  0.610810  1
  S  S105  1  0.249672  0.541542  0.610460  1
  S  S106  1  0.333157  0.667049  0.610484  1
  S  S107  1  0.417246  0.792515  0.610922  1
  S  S108  1  0.500000  0.917667  0.611011  1
  S  S109  1  0.083592  0.041198  0.610598  1
  S  S110  1  0.166899  0.166114  0.610760  1
  S  S111  1  0.250117  0.291156  0.610799  1
  S  S112  1  0.333223  0.416659  0.610633  1
  S  S113  1  0.416507  0.541987  0.610492  1
  S  S114  1  0.500000  0.667152  0.610581  1
  S  S115  1  0.582754  0.792515  0.610922  1
  S  S116  1  0.665489  0.917739  0.610975  1
  S  S117  1  0.250936  0.042260  0.610969  1
  S  S118  1  0.333714  0.166995  0.610889  1
  S  S119  1  0.416712  0.291999  0.610772  1
  S  S120  1  0.500000  0.416994  0.610631  1
  S  S121  1  0.583493  0.541987  0.610492  1
  S  S122  1  0.666843  0.667050  0.610485  1
  S  S123  1  0.747639  0.792899  0.611431  1
  S  S124  1  0.831018  0.918107  0.611556  1
  S  S125  1  0.417072  0.042531  0.610985  1
  S  S126  1  0.500000  0.167321  0.610872  1
  S  S127  1  0.583288  0.291999  0.610772  1
  S  S128  1  0.666777  0.416659  0.610633  1
  S  S129  1  0.750328  0.541542  0.610461  1
  S  S130  1  0.834352  0.667135  0.609357  1
  S  S131  1  0.911818  0.794252  0.610383  1
  S  S132  1  -0.000000  0.915756  0.609479  1
  S  S133  1  0.582928  0.042531  0.610985  1
  S  S134  1  0.666286  0.166995  0.610889  1
  S  S135  1  0.749883  0.291156  0.610799  1
  S  S136  1  0.833274  0.415332  0.610810  1
  S  S137  1  0.916469  0.538833  0.611403  1
  S  S138  1  0.000000  0.661333  0.610290  1
  S  S139  1  0.749064  0.042260  0.610969  1
  S  S140  1  0.833101  0.166114  0.610761  1
  S  S141  1  0.916604  0.290387  0.610810  1
  S  S142  1  -0.000000  0.414685  0.610869  1
  S  S143  1  0.916408  0.041198  0.610598  1
  S  S144  1  0.000000  0.165679  0.610666  1
