# 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  0.791662  0.379261  1
  W  W2  1  -0.002386  0.748796  0.500042  1
  W  W3  1  0.083333  0.877415  0.500015  1
  W  W4  1  -0.000058  0.499457  0.500139  1
  W  W5  1  0.083333  0.624326  0.499899  1
  W  W6  1  0.169053  0.748796  0.500042  1
  W  W7  1  0.250639  0.875346  0.499897  1
  W  W8  1  -0.000046  0.249839  0.499990  1
  W  W9  1  0.083333  0.374634  0.499957  1
  W  W10  1  0.166725  0.499457  0.500139  1
  W  W11  1  0.250092  0.624377  0.500635  1
  W  W12  1  0.333963  0.750270  0.500631  1
  W  W13  1  0.417104  0.875275  0.500129  1
  W  W14  1  -0.000577  0.000358  0.500634  1
  W  W15  1  0.083333  0.125016  0.500264  1
  W  W16  1  0.166712  0.249839  0.499990  1
  W  W17  1  0.250042  0.374727  0.499958  1
  W  W18  1  0.333401  0.499734  0.500094  1
  W  W19  1  0.416759  0.624986  0.500250  1
  W  W20  1  0.500163  0.750176  0.500060  1
  W  W21  1  0.583333  0.875250  0.499939  1
  W  W22  1  0.167244  0.000358  0.500634  1
  W  W23  1  0.250232  0.125118  0.500095  1
  W  W24  1  0.333438  0.249979  0.499952  1
  W  W25  1  0.416726  0.374909  0.499959  1
  W  W26  1  0.500013  0.499991  0.499985  1
  W  W27  1  0.583333  0.625078  0.499990  1
  W  W28  1  0.666504  0.750176  0.500060  1
  W  W29  1  0.749563  0.875275  0.500129  1
  W  W30  1  0.333773  0.000314  0.500137  1
  W  W31  1  0.416856  0.125154  0.499968  1
  W  W32  1  0.500052  0.250051  0.499977  1
  W  W33  1  0.583333  0.375013  0.499973  1
  W  W34  1  0.666653  0.499991  0.499985  1
  W  W35  1  0.749908  0.624986  0.500250  1
  W  W36  1  0.832704  0.750270  0.500631  1
  W  W37  1  0.916028  0.875346  0.499897  1
  W  W38  1  0.500168  0.000245  0.499950  1
  W  W39  1  0.583333  0.125166  0.499972  1
  W  W40  1  0.666615  0.250051  0.499977  1
  W  W41  1  0.749941  0.374909  0.499959  1
  W  W42  1  0.833266  0.499734  0.500094  1
  W  W43  1  0.916575  0.624377  0.500635  1
  W  W44  1  0.666499  0.000245  0.499950  1
  W  W45  1  0.749811  0.125154  0.499968  1
  W  W46  1  0.833229  0.249979  0.499952  1
  W  W47  1  0.916625  0.374727  0.499958  1
  W  W48  1  0.832894  0.000314  0.500137  1
  W  W49  1  0.916435  0.125118  0.500095  1
  S  S50  1  0.167207  0.917225  0.389200  1
  S  S51  1  0.083333  0.541048  0.389416  1
  S  S52  1  0.166958  0.665965  0.389227  1
  S  S53  1  0.250812  0.791805  0.389211  1
  S  S54  1  0.333863  0.916985  0.389377  1
  S  S55  1  0.083333  0.291394  0.389190  1
  S  S56  1  0.166680  0.416310  0.389207  1
  S  S57  1  0.250026  0.541349  0.389493  1
  S  S58  1  0.333312  0.666687  0.389990  1
  S  S59  1  0.416895  0.791860  0.389437  1
  S  S60  1  0.500147  0.916910  0.389135  1
  S  S61  1  0.083333  0.041603  0.389986  1
  S  S62  1  0.166677  0.166516  0.389364  1
  S  S63  1  0.250029  0.291480  0.389179  1
  S  S64  1  0.333363  0.416504  0.389243  1
  S  S65  1  0.416634  0.541695  0.389396  1
  S  S66  1  0.499955  0.666747  0.389367  1
  S  S67  1  0.583333  0.791830  0.389210  1
  S  S68  1  0.666520  0.916910  0.389135  1
  S  S69  1  0.250279  0.041818  0.389457  1
  S  S70  1  0.333459  0.166708  0.389211  1
  S  S71  1  0.416733  0.291640  0.389185  1
  S  S72  1  0.500012  0.416678  0.389236  1
  S  S73  1  0.583333  0.541718  0.389257  1
  S  S74  1  0.666711  0.666747  0.389367  1
  S  S75  1  0.749771  0.791860  0.389437  1
  S  S76  1  0.832804  0.916985  0.389377  1
  S  S77  1  0.416888  0.041872  0.389170  1
  S  S78  1  0.500079  0.166793  0.389166  1
  S  S79  1  0.583333  0.291718  0.389226  1
  S  S80  1  0.666655  0.416678  0.389236  1
  S  S81  1  0.750033  0.541695  0.389396  1
  S  S82  1  0.833354  0.666687  0.389990  1
  S  S83  1  0.915855  0.791805  0.389211  1
  S  S84  1  -0.000541  0.917225  0.389200  1
  S  S85  1  0.583333  0.041895  0.389117  1
  S  S86  1  0.666587  0.166793  0.389166  1
  S  S87  1  0.749934  0.291640  0.389185  1
  S  S88  1  0.833304  0.416504  0.389243  1
  S  S89  1  0.916640  0.541349  0.389493  1
  S  S90  1  -0.000292  0.665965  0.389227  1
  S  S91  1  0.749779  0.041872  0.389170  1
  S  S92  1  0.833207  0.166708  0.389211  1
  S  S93  1  0.916638  0.291480  0.389179  1
  S  S94  1  -0.000014  0.416310  0.389207  1
  S  S95  1  0.916387  0.041818  0.389457  1
  S  S96  1  -0.000010  0.166516  0.389364  1
  S  S97  1  0.083333  0.791673  0.606215  1
  S  S98  1  0.167806  0.917081  0.611249  1
  S  S99  1  0.083333  0.541207  0.610800  1
  S  S100  1  0.166517  0.665571  0.611246  1
  S  S101  1  0.250977  0.792324  0.611242  1
  S  S102  1  0.333723  0.916911  0.610828  1
  S  S103  1  0.083333  0.291413  0.610724  1
  S  S104  1  0.166672  0.416214  0.610789  1
  S  S105  1  0.250057  0.541106  0.611036  1
  S  S106  1  0.333445  0.666619  0.611051  1
  S  S107  1  0.417164  0.791954  0.611044  1
  S  S108  1  0.500250  0.916960  0.610820  1
  S  S109  1  0.083333  0.041736  0.611068  1
  S  S110  1  0.166767  0.166637  0.610850  1
  S  S111  1  0.250048  0.291493  0.610720  1
  S  S112  1  0.333377  0.416419  0.610734  1
  S  S113  1  0.416711  0.541573  0.610803  1
  S  S114  1  0.500104  0.666769  0.610784  1
  S  S115  1  0.583333  0.791895  0.610772  1
  S  S116  1  0.666416  0.916960  0.610820  1
  S  S117  1  0.250505  0.041960  0.611065  1
  S  S118  1  0.333536  0.166768  0.610773  1
  S  S119  1  0.416721  0.291646  0.610726  1
  S  S120  1  0.500010  0.416664  0.610691  1
  S  S121  1  0.583333  0.541712  0.610661  1
  S  S122  1  0.666562  0.666769  0.610784  1
  S  S123  1  0.749503  0.791954  0.611044  1
  S  S124  1  0.832943  0.916911  0.610828  1
  S  S125  1  0.416995  0.041906  0.610830  1
  S  S126  1  0.500077  0.166788  0.610773  1
  S  S127  1  0.583333  0.291719  0.610736  1
  S  S128  1  0.666657  0.416664  0.610691  1
  S  S129  1  0.749955  0.541573  0.610803  1
  S  S130  1  0.833222  0.666619  0.611051  1
  S  S131  1  0.915690  0.792324  0.611242  1
  S  S132  1  -0.001139  0.917081  0.611249  1
  S  S133  1  0.583333  0.041886  0.610775  1
  S  S134  1  0.666589  0.166788  0.610773  1
  S  S135  1  0.749946  0.291646  0.610726  1
  S  S136  1  0.833290  0.416419  0.610734  1
  S  S137  1  0.916610  0.541106  0.611036  1
  S  S138  1  0.000149  0.665571  0.611246  1
  S  S139  1  0.749671  0.041906  0.610830  1
  S  S140  1  0.833131  0.166768  0.610773  1
  S  S141  1  0.916619  0.291493  0.610720  1
  S  S142  1  -0.000005  0.416214  0.610789  1
  S  S143  1  0.916161  0.041960  0.611065  1
  S  S144  1  -0.000101  0.166637  0.610850  1
