# 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  0.751037  0.500000  1
  W  W2  1  0.085455  0.878667  0.500000  1
  W  W3  1  0.000000  0.497771  0.500000  1
  W  W4  1  0.084725  0.619427  0.500000  1
  W  W5  1  0.172098  0.752029  0.500000  1
  W  W6  1  0.251670  0.876041  0.500000  1
  W  W7  1  -0.000000  0.249299  0.500000  1
  W  W8  1  0.083670  0.373591  0.500001  1
  W  W9  1  0.166841  0.498110  0.500000  1
  W  W10  1  0.250145  0.625000  0.500000  1
  W  W11  1  0.334807  0.750784  0.500000  1
  W  W12  1  0.417397  0.875794  0.500000  1
  W  W13  1  0.000000  0.000437  0.500000  1
  W  W14  1  0.083608  0.125015  0.500000  1
  W  W15  1  0.166989  0.249534  0.500000  1
  W  W16  1  0.250407  0.374278  0.500000  1
  W  W17  1  0.333426  0.499688  0.500000  1
  W  W18  1  0.416766  0.625071  0.500000  1
  W  W19  1  0.500000  0.750358  0.500000  1
  W  W20  1  0.582603  0.875794  0.500000  1
  W  W21  1  0.168249  0.000887  0.500000  1
  W  W22  1  0.250614  0.125381  0.500000  1
  W  W23  1  0.333671  0.250048  0.500000  1
  W  W24  1  0.416759  0.374998  0.500000  1
  W  W25  1  0.500000  0.499995  0.500000  1
  W  W26  1  0.583234  0.625071  0.500000  1
  W  W27  1  0.665193  0.750784  0.500000  1
  W  W28  1  0.748330  0.876041  0.500000  1
  W  W29  1  0.334105  0.001012  0.500000  1
  W  W30  1  0.416976  0.125590  0.500000  1
  W  W31  1  0.500000  0.250331  0.500000  1
  W  W32  1  0.583241  0.374998  0.500000  1
  W  W33  1  0.666574  0.499688  0.500000  1
  W  W34  1  0.749855  0.624999  0.500000  1
  W  W35  1  0.827902  0.752029  0.500000  1
  W  W36  1  0.914546  0.878668  0.500000  1
  W  W37  1  0.500000  0.000765  0.500000  1
  W  W38  1  0.583024  0.125590  0.500000  1
  W  W39  1  0.666329  0.250048  0.500000  1
  W  W40  1  0.749593  0.374278  0.500000  1
  W  W41  1  0.833158  0.498110  0.500000  1
  W  W42  1  0.915275  0.619427  0.500000  1
  W  W43  1  0.665895  0.001012  0.500000  1
  W  W44  1  0.749386  0.125381  0.500000  1
  W  W45  1  0.833011  0.249534  0.500000  1
  W  W46  1  0.916330  0.373591  0.500000  1
  W  W47  1  0.831751  0.000887  0.500000  1
  W  W48  1  0.916392  0.125015  0.500000  1
  S  S49  1  0.087330  0.793174  0.392678  1
  S  S50  1  0.168736  0.918326  0.388497  1
  S  S51  1  0.083759  0.538050  0.387934  1
  S  S52  1  0.166080  0.666737  0.390982  1
  S  S53  1  0.253371  0.793180  0.387961  1
  S  S54  1  0.334464  0.917768  0.389167  1
  S  S55  1  0.083484  0.290668  0.389125  1
  S  S56  1  0.167067  0.415191  0.389074  1
  S  S57  1  0.250050  0.541297  0.389559  1
  S  S58  1  0.333600  0.666860  0.389421  1
  S  S59  1  0.417525  0.792351  0.389066  1
  S  S60  1  0.500000  0.917574  0.388923  1
  S  S61  1  0.083837  0.041910  0.389424  1
  S  S62  1  0.166982  0.166493  0.389164  1
  S  S63  1  0.250299  0.291209  0.389127  1
  S  S64  1  0.333471  0.416462  0.389199  1
  S  S65  1  0.416650  0.541637  0.389372  1
  S  S66  1  0.500000  0.666763  0.389305  1
  S  S67  1  0.582475  0.792351  0.389066  1
  S  S68  1  0.665536  0.917768  0.389167  1
  S  S69  1  0.250953  0.042478  0.388918  1
  S  S70  1  0.333742  0.167010  0.389078  1
  S  S71  1  0.416780  0.291848  0.389121  1
  S  S72  1  0.500000  0.416727  0.389240  1
  S  S73  1  0.583350  0.541637  0.389372  1
  S  S74  1  0.666400  0.666860  0.389421  1
  S  S75  1  0.746629  0.793180  0.387961  1
  S  S76  1  0.831264  0.918326  0.388497  1
  S  S77  1  0.417073  0.042487  0.389027  1
  S  S78  1  0.500000  0.167233  0.389045  1
  S  S79  1  0.583220  0.291848  0.389120  1
  S  S80  1  0.666529  0.416462  0.389199  1
  S  S81  1  0.749950  0.541298  0.389559  1
  S  S82  1  0.833920  0.666737  0.390982  1
  S  S83  1  0.912670  0.793174  0.392678  1
  S  S84  1  -0.000000  0.917441  0.389616  1
  S  S85  1  0.582927  0.042487  0.389027  1
  S  S86  1  0.666258  0.167010  0.389078  1
  S  S87  1  0.749701  0.291209  0.389127  1
  S  S88  1  0.832933  0.415191  0.389074  1
  S  S89  1  0.916241  0.538050  0.387933  1
  S  S90  1  -0.000000  0.662104  0.392750  1
  S  S91  1  0.749047  0.042478  0.388919  1
  S  S92  1  0.833018  0.166493  0.389164  1
  S  S93  1  0.916516  0.290668  0.389124  1
  S  S94  1  0.000000  0.414742  0.389271  1
  S  S95  1  0.916163  0.041910  0.389424  1
  S  S96  1  -0.000000  0.166216  0.389229  1
  S  S97  1  0.087330  0.793174  0.607322  1
  S  S98  1  0.168736  0.918326  0.611503  1
  S  S99  1  0.083759  0.538050  0.612067  1
  S  S100  1  0.166080  0.666737  0.609018  1
  S  S101  1  0.253371  0.793180  0.612039  1
  S  S102  1  0.334464  0.917768  0.610833  1
  S  S103  1  0.083484  0.290668  0.610876  1
  S  S104  1  0.167067  0.415191  0.610926  1
  S  S105  1  0.250050  0.541297  0.610441  1
  S  S106  1  0.333600  0.666860  0.610579  1
  S  S107  1  0.417525  0.792351  0.610934  1
  S  S108  1  0.500000  0.917574  0.611077  1
  S  S109  1  0.083837  0.041910  0.610576  1
  S  S110  1  0.166982  0.166493  0.610836  1
  S  S111  1  0.250299  0.291209  0.610873  1
  S  S112  1  0.333471  0.416462  0.610801  1
  S  S113  1  0.416650  0.541637  0.610628  1
  S  S114  1  0.500000  0.666763  0.610695  1
  S  S115  1  0.582475  0.792351  0.610934  1
  S  S116  1  0.665536  0.917768  0.610833  1
  S  S117  1  0.250953  0.042478  0.611082  1
  S  S118  1  0.333742  0.167010  0.610923  1
  S  S119  1  0.416780  0.291848  0.610879  1
  S  S120  1  0.500000  0.416727  0.610760  1
  S  S121  1  0.583350  0.541637  0.610628  1
  S  S122  1  0.666400  0.666860  0.610579  1
  S  S123  1  0.746629  0.793180  0.612039  1
  S  S124  1  0.831264  0.918326  0.611503  1
  S  S125  1  0.417073  0.042487  0.610973  1
  S  S126  1  0.500000  0.167233  0.610955  1
  S  S127  1  0.583220  0.291848  0.610879  1
  S  S128  1  0.666529  0.416462  0.610801  1
  S  S129  1  0.749950  0.541297  0.610441  1
  S  S130  1  0.833920  0.666737  0.609018  1
  S  S131  1  0.912670  0.793174  0.607323  1
  S  S132  1  -0.000000  0.917441  0.610384  1
  S  S133  1  0.582927  0.042487  0.610973  1
  S  S134  1  0.666258  0.167010  0.610922  1
  S  S135  1  0.749701  0.291209  0.610873  1
  S  S136  1  0.832933  0.415191  0.610926  1
  S  S137  1  0.916241  0.538050  0.612067  1
  S  S138  1  -0.000000  0.662104  0.607250  1
  S  S139  1  0.749047  0.042478  0.611082  1
  S  S140  1  0.833018  0.166493  0.610836  1
  S  S141  1  0.916516  0.290668  0.610875  1
  S  S142  1  -0.000000  0.414742  0.610729  1
  S  S143  1  0.916163  0.041910  0.610576  1
  S  S144  1  -0.000000  0.166216  0.610771  1
