# generated using pymatgen
data_GeW48S95
_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   GeW48S95
_chemical_formula_sum   'Ge1 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
  Ge  Ge1  1  0.083333  0.791661  0.364679  1
  W  W2  1  0.000286  0.750156  0.501507  1
  W  W3  1  0.083333  0.874697  0.501502  1
  W  W4  1  0.000144  0.499539  0.500231  1
  W  W5  1  0.083333  0.624607  0.500593  1
  W  W6  1  0.166381  0.750156  0.501507  1
  W  W7  1  0.250335  0.875201  0.500607  1
  W  W8  1  -0.000021  0.249533  0.499849  1
  W  W9  1  0.083333  0.374476  0.499867  1
  W  W10  1  0.166522  0.499539  0.500231  1
  W  W11  1  0.249625  0.624817  0.500864  1
  W  W12  1  0.333322  0.750446  0.500844  1
  W  W13  1  0.416862  0.875406  0.500176  1
  W  W14  1  -0.000367  -0.000259  0.500865  1
  W  W15  1  0.083333  0.124517  0.500196  1
  W  W16  1  0.166687  0.249533  0.499849  1
  W  W17  1  0.249940  0.374669  0.499853  1
  W  W18  1  0.333069  0.499940  0.499997  1
  W  W19  1  0.416415  0.625257  0.500153  1
  W  W20  1  0.499944  0.750425  0.499892  1
  W  W21  1  0.583333  0.875382  0.499800  1
  W  W22  1  0.167034  -0.000259  0.500865  1
  W  W23  1  0.250176  0.124696  0.499994  1
  W  W24  1  0.333369  0.249818  0.499852  1
  W  W25  1  0.416593  0.374997  0.499870  1
  W  W26  1  0.499893  0.500175  0.499863  1
  W  W27  1  0.583333  0.625319  0.499805  1
  W  W28  1  0.666722  0.750425  0.499892  1
  W  W29  1  0.749805  0.875406  0.500176  1
  W  W30  1  0.333699  0.000093  0.500212  1
  W  W31  1  0.416810  0.125073  0.499891  1
  W  W32  1  0.500025  0.250098  0.499920  1
  W  W33  1  0.583333  0.375123  0.499909  1
  W  W34  1  0.666774  0.500175  0.499863  1
  W  W35  1  0.750252  0.625257  0.500153  1
  W  W36  1  0.833345  0.750446  0.500844  1
  W  W37  1  0.916332  0.875201  0.500607  1
  W  W38  1  0.500141  0.000297  0.499850  1
  W  W39  1  0.583333  0.125211  0.499877  1
  W  W40  1  0.666641  0.250098  0.499920  1
  W  W41  1  0.750073  0.374997  0.499870  1
  W  W42  1  0.833598  0.499940  0.499996  1
  W  W43  1  0.917042  0.624817  0.500864  1
  W  W44  1  0.666526  0.000297  0.499850  1
  W  W45  1  0.749856  0.125073  0.499891  1
  W  W46  1  0.833297  0.249818  0.499852  1
  W  W47  1  0.916726  0.374669  0.499853  1
  W  W48  1  0.832967  0.000093  0.500212  1
  W  W49  1  0.916491  0.124696  0.499994  1
  S  S50  1  0.165964  0.915560  0.390098  1
  S  S51  1  0.083333  0.541564  0.389614  1
  S  S52  1  0.165935  0.667711  0.390126  1
  S  S53  1  0.248592  0.791717  0.390097  1
  S  S54  1  0.333277  0.916728  0.389546  1
  S  S55  1  0.083333  0.291164  0.389131  1
  S  S56  1  0.166588  0.416379  0.389219  1
  S  S57  1  0.249523  0.541818  0.389558  1
  S  S58  1  0.332591  0.667083  0.390150  1
  S  S59  1  0.416221  0.792026  0.389477  1
  S  S60  1  0.499982  0.916944  0.389113  1
  S  S61  1  0.083333  0.040802  0.390126  1
  S  S62  1  0.166630  0.166074  0.389301  1
  S  S63  1  0.249964  0.291338  0.389134  1
  S  S64  1  0.333175  0.416656  0.389216  1
  S  S65  1  0.416347  0.541928  0.389381  1
  S  S66  1  0.499728  0.666975  0.389315  1
  S  S67  1  0.583333  0.791967  0.389135  1
  S  S68  1  0.666685  0.916944  0.389113  1
  S  S69  1  0.250000  0.041154  0.389478  1
  S  S70  1  0.333335  0.166457  0.389162  1
  S  S71  1  0.416641  0.291653  0.389180  1
  S  S72  1  0.499934  0.416808  0.389229  1
  S  S73  1  0.583333  0.541901  0.389230  1
  S  S74  1  0.666939  0.666975  0.389315  1
  S  S75  1  0.750445  0.792026  0.389477  1
  S  S76  1  0.833390  0.916728  0.389546  1
  S  S77  1  0.416724  0.041756  0.389156  1
  S  S78  1  0.500024  0.166810  0.389136  1
  S  S79  1  0.583333  0.291799  0.389205  1
  S  S80  1  0.666733  0.416807  0.389229  1
  S  S81  1  0.750319  0.541928  0.389381  1
  S  S82  1  0.834076  0.667083  0.390150  1
  S  S83  1  0.918074  0.791717  0.390097  1
  S  S84  1  0.000702  0.915560  0.390098  1
  S  S85  1  0.583334  0.041933  0.389038  1
  S  S86  1  0.666643  0.166810  0.389136  1
  S  S87  1  0.750026  0.291653  0.389180  1
  S  S88  1  0.833491  0.416656  0.389216  1
  S  S89  1  0.917143  0.541818  0.389558  1
  S  S90  1  0.000731  0.667711  0.390126  1
  S  S91  1  0.749943  0.041756  0.389156  1
  S  S92  1  0.833332  0.166457  0.389162  1
  S  S93  1  0.916703  0.291338  0.389134  1
  S  S94  1  0.000078  0.416379  0.389219  1
  S  S95  1  0.916667  0.041154  0.389478  1
  S  S96  1  0.000037  0.166074  0.389301  1
  S  S97  1  0.083333  0.791656  0.611039  1
  S  S98  1  0.167464  0.916657  0.611726  1
  S  S99  1  0.083333  0.541207  0.611160  1
  S  S100  1  0.166285  0.666036  0.611679  1
  S  S101  1  0.250434  0.792278  0.611694  1
  S  S102  1  0.333682  0.916903  0.611199  1
  S  S103  1  0.083333  0.291149  0.610530  1
  S  S104  1  0.166597  0.416149  0.610693  1
  S  S105  1  0.249791  0.541339  0.611027  1
  S  S106  1  0.333164  0.666821  0.611038  1
  S  S107  1  0.416874  0.792080  0.610972  1
  S  S108  1  0.500196  0.917026  0.610692  1
  S  S109  1  0.083333  0.041344  0.611115  1
  S  S110  1  0.166735  0.166263  0.610670  1
  S  S111  1  0.249971  0.291338  0.610529  1
  S  S112  1  0.333203  0.416552  0.610555  1
  S  S113  1  0.416477  0.541791  0.610579  1
  S  S114  1  0.499947  0.666990  0.610503  1
  S  S115  1  0.583333  0.792003  0.610511  1
  S  S116  1  0.666470  0.917026  0.610692  1
  S  S117  1  0.250373  0.041590  0.611081  1
  S  S118  1  0.333406  0.166552  0.610630  1
  S  S119  1  0.416612  0.291665  0.610569  1
  S  S120  1  0.499925  0.416811  0.610517  1
  S  S121  1  0.583333  0.541919  0.610408  1
  S  S122  1  0.666719  0.666990  0.610503  1
  S  S123  1  0.749793  0.792080  0.610972  1
  S  S124  1  0.832984  0.916903  0.611199  1
  S  S125  1  0.416946  0.041852  0.610767  1
  S  S126  1  0.500033  0.166803  0.610646  1
  S  S127  1  0.583333  0.291806  0.610630  1
  S  S128  1  0.666742  0.416811  0.610517  1
  S  S129  1  0.750190  0.541791  0.610579  1
  S  S130  1  0.833503  0.666821  0.611038  1
  S  S131  1  0.916233  0.792278  0.611694  1
  S  S132  1  -0.000797  0.916657  0.611726  1
  S  S133  1  0.583334  0.041931  0.610642  1
  S  S134  1  0.666634  0.166803  0.610646  1
  S  S135  1  0.750054  0.291665  0.610569  1
  S  S136  1  0.833464  0.416552  0.610555  1
  S  S137  1  0.916876  0.541339  0.611027  1
  S  S138  1  0.000382  0.666036  0.611679  1
  S  S139  1  0.749721  0.041852  0.610767  1
  S  S140  1  0.833261  0.166552  0.610630  1
  S  S141  1  0.916696  0.291338  0.610529  1
  S  S142  1  0.000070  0.416149  0.610693  1
  S  S143  1  0.916293  0.041591  0.611081  1
  S  S144  1  -0.000068  0.166263  0.610670  1
