# generated using pymatgen
data_GeW47S96
_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   GeW47S96
_chemical_formula_sum   'Ge1 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
  Ge  Ge1  1  0.000000  0.749825  0.500000  1
  W  W2  1  0.086561  0.877697  0.500000  1
  W  W3  1  -0.000000  0.497656  0.500001  1
  W  W4  1  0.084469  0.621106  0.500000  1
  W  W5  1  0.170908  0.751051  0.500000  1
  W  W6  1  0.252053  0.876155  0.500000  1
  W  W7  1  -0.000000  0.248930  0.500000  1
  W  W8  1  0.083125  0.373503  0.500001  1
  W  W9  1  0.166018  0.498201  0.500001  1
  W  W10  1  0.249460  0.625270  0.500001  1
  W  W11  1  0.334462  0.751333  0.500000  1
  W  W12  1  0.417408  0.876045  0.500000  1
  W  W13  1  0.000000  -0.000720  0.500000  1
  W  W14  1  0.083542  0.124690  0.500000  1
  W  W15  1  0.166651  0.249066  0.500000  1
  W  W16  1  0.250365  0.374700  0.500000  1
  W  W17  1  0.333492  0.499977  0.500000  1
  W  W18  1  0.416799  0.625240  0.500000  1
  W  W19  1  0.500000  0.750287  0.500000  1
  W  W20  1  0.582592  0.876045  0.500000  1
  W  W21  1  0.168684  0.000308  0.500000  1
  W  W22  1  0.250034  0.125236  0.500001  1
  W  W23  1  0.333578  0.250183  0.500000  1
  W  W24  1  0.416265  0.375464  0.500000  1
  W  W25  1  0.500000  0.500497  0.500000  1
  W  W26  1  0.583201  0.625240  0.500000  1
  W  W27  1  0.665538  0.751333  0.500000  1
  W  W28  1  0.747947  0.876155  0.500000  1
  W  W29  1  0.334349  0.000620  0.500000  1
  W  W30  1  0.417477  0.125577  0.500001  1
  W  W31  1  0.500000  0.249972  0.500000  1
  W  W32  1  0.583735  0.375464  0.500000  1
  W  W33  1  0.666508  0.499977  0.500000  1
  W  W34  1  0.750540  0.625270  0.500000  1
  W  W35  1  0.829092  0.751051  0.500000  1
  W  W36  1  0.913439  0.877697  0.500000  1
  W  W37  1  0.500000  0.000611  0.500001  1
  W  W38  1  0.582523  0.125577  0.500000  1
  W  W39  1  0.666422  0.250183  0.500000  1
  W  W40  1  0.749635  0.374700  0.500000  1
  W  W41  1  0.833982  0.498201  0.500000  1
  W  W42  1  0.915532  0.621106  0.500000  1
  W  W43  1  0.665651  0.000619  0.500000  1
  W  W44  1  0.749966  0.125236  0.500000  1
  W  W45  1  0.833349  0.249066  0.500000  1
  W  W46  1  0.916875  0.373503  0.500000  1
  W  W47  1  0.831316  0.000308  0.500000  1
  W  W48  1  0.916458  0.124690  0.500000  1
  S  S49  1  0.088984  0.794537  0.388682  1
  S  S50  1  0.169254  0.917855  0.388372  1
  S  S51  1  0.083198  0.538958  0.388434  1
  S  S52  1  0.165934  0.667009  0.390373  1
  S  S53  1  0.252339  0.793116  0.388399  1
  S  S54  1  0.334722  0.917690  0.388606  1
  S  S55  1  0.083291  0.290435  0.389170  1
  S  S56  1  0.166611  0.415245  0.389280  1
  S  S57  1  0.249558  0.541530  0.389897  1
  S  S58  1  0.333183  0.667113  0.389804  1
  S  S59  1  0.417451  0.792512  0.389230  1
  S  S60  1  0.500000  0.917653  0.388785  1
  S  S61  1  0.083663  0.041111  0.389775  1
  S  S62  1  0.166680  0.166192  0.388943  1
  S  S63  1  0.250004  0.291356  0.389557  1
  S  S64  1  0.333239  0.416853  0.389058  1
  S  S65  1  0.416637  0.541958  0.389225  1
  S  S66  1  0.500000  0.666900  0.389215  1
  S  S67  1  0.582549  0.792512  0.389231  1
  S  S68  1  0.665278  0.917690  0.388607  1
  S  S69  1  0.251173  0.042263  0.389093  1
  S  S70  1  0.333564  0.166846  0.389572  1
  S  S71  1  0.416868  0.292040  0.389515  1
  S  S72  1  0.500000  0.417037  0.389559  1
  S  S73  1  0.583363  0.541958  0.389226  1
  S  S74  1  0.666817  0.667113  0.389804  1
  S  S75  1  0.747661  0.793116  0.388400  1
  S  S76  1  0.830746  0.917855  0.388372  1
  S  S77  1  0.417141  0.042386  0.389096  1
  S  S78  1  0.500000  0.167192  0.388690  1
  S  S79  1  0.583132  0.292040  0.389516  1
  S  S80  1  0.666761  0.416853  0.389058  1
  S  S81  1  0.750442  0.541530  0.389898  1
  S  S82  1  0.834066  0.667009  0.390372  1
  S  S83  1  0.911016  0.794537  0.388682  1
  S  S84  1  -0.000000  0.915843  0.390341  1
  S  S85  1  0.582859  0.042386  0.389096  1
  S  S86  1  0.666436  0.166846  0.389572  1
  S  S87  1  0.749996  0.291356  0.389557  1
  S  S88  1  0.833389  0.415245  0.389280  1
  S  S89  1  0.916802  0.538958  0.388434  1
  S  S90  1  -0.000000  0.660836  0.388724  1
  S  S91  1  0.748827  0.042263  0.389094  1
  S  S92  1  0.833320  0.166192  0.388943  1
  S  S93  1  0.916709  0.290435  0.389170  1
  S  S94  1  0.000000  0.414760  0.388725  1
  S  S95  1  0.916337  0.041111  0.389775  1
  S  S96  1  -0.000000  0.165835  0.389158  1
  S  S97  1  0.088984  0.794537  0.611318  1
  S  S98  1  0.169254  0.917855  0.611628  1
  S  S99  1  0.083198  0.538958  0.611566  1
  S  S100  1  0.165934  0.667009  0.609627  1
  S  S101  1  0.252339  0.793116  0.611600  1
  S  S102  1  0.334722  0.917690  0.611393  1
  S  S103  1  0.083291  0.290435  0.610830  1
  S  S104  1  0.166611  0.415245  0.610720  1
  S  S105  1  0.249558  0.541530  0.610102  1
  S  S106  1  0.333183  0.667113  0.610196  1
  S  S107  1  0.417451  0.792512  0.610769  1
  S  S108  1  0.500000  0.917653  0.611214  1
  S  S109  1  0.083663  0.041111  0.610225  1
  S  S110  1  0.166680  0.166192  0.611057  1
  S  S111  1  0.250004  0.291356  0.610443  1
  S  S112  1  0.333239  0.416853  0.610941  1
  S  S113  1  0.416637  0.541958  0.610774  1
  S  S114  1  0.500000  0.666900  0.610785  1
  S  S115  1  0.582549  0.792512  0.610769  1
  S  S116  1  0.665278  0.917690  0.611393  1
  S  S117  1  0.251173  0.042263  0.610906  1
  S  S118  1  0.333564  0.166846  0.610427  1
  S  S119  1  0.416868  0.292040  0.610484  1
  S  S120  1  0.500000  0.417037  0.610441  1
  S  S121  1  0.583363  0.541958  0.610774  1
  S  S122  1  0.666817  0.667113  0.610196  1
  S  S123  1  0.747661  0.793116  0.611601  1
  S  S124  1  0.830746  0.917855  0.611628  1
  S  S125  1  0.417141  0.042386  0.610902  1
  S  S126  1  0.500000  0.167191  0.611309  1
  S  S127  1  0.583132  0.292040  0.610484  1
  S  S128  1  0.666760  0.416853  0.610942  1
  S  S129  1  0.750442  0.541530  0.610102  1
  S  S130  1  0.834066  0.667009  0.609627  1
  S  S131  1  0.911016  0.794537  0.611318  1
  S  S132  1  0.000000  0.915843  0.609659  1
  S  S133  1  0.582859  0.042386  0.610903  1
  S  S134  1  0.666436  0.166846  0.610428  1
  S  S135  1  0.749996  0.291356  0.610443  1
  S  S136  1  0.833389  0.415245  0.610720  1
  S  S137  1  0.916802  0.538958  0.611566  1
  S  S138  1  -0.000000  0.660836  0.611276  1
  S  S139  1  0.748827  0.042263  0.610906  1
  S  S140  1  0.833320  0.166192  0.611057  1
  S  S141  1  0.916709  0.290435  0.610830  1
  S  S142  1  -0.000000  0.414760  0.611275  1
  S  S143  1  0.916337  0.041111  0.610225  1
  S  S144  1  0.000000  0.165835  0.610842  1
