# 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  0.791663  0.393736  1
  W  W2  1  -0.007355  0.746466  0.496477  1
  W  W3  1  0.083333  0.882417  0.496450  1
  W  W4  1  -0.000468  0.499671  0.499852  1
  W  W5  1  0.083333  0.624397  0.497733  1
  W  W6  1  0.174022  0.746466  0.496478  1
  W  W7  1  0.250608  0.875326  0.497921  1
  W  W8  1  0.000055  0.250445  0.500756  1
  W  W9  1  0.083333  0.375059  0.500552  1
  W  W10  1  0.167134  0.499671  0.499852  1
  W  W11  1  0.250848  0.623990  0.499475  1
  W  W12  1  0.334775  0.749812  0.499709  1
  W  W13  1  0.417279  0.874889  0.500100  1
  W  W14  1  -0.000625  0.001291  0.499320  1
  W  W15  1  0.083333  0.126054  0.500411  1
  W  W16  1  0.166612  0.250445  0.500756  1
  W  W17  1  0.250230  0.375136  0.500657  1
  W  W18  1  0.333816  0.499245  0.500517  1
  W  W19  1  0.417481  0.624483  0.500704  1
  W  W20  1  0.500603  0.749872  0.500724  1
  W  W21  1  0.583333  0.874866  0.500635  1
  W  W22  1  0.167291  0.001291  0.499320  1
  W  W23  1  0.250535  0.125799  0.500353  1
  W  W24  1  0.333473  0.250152  0.500691  1
  W  W25  1  0.416839  0.374785  0.500844  1
  W  W26  1  0.500229  0.499749  0.500963  1
  W  W27  1  0.583333  0.624429  0.500990  1
  W  W28  1  0.666065  0.749872  0.500723  1
  W  W29  1  0.749387  0.874889  0.500100  1
  W  W30  1  0.333599  0.000624  0.499847  1
  W  W31  1  0.416666  0.125055  0.500529  1
  W  W32  1  0.500207  0.249911  0.500846  1
  W  W33  1  0.583333  0.374606  0.500986  1
  W  W34  1  0.666438  0.499749  0.500963  1
  W  W35  1  0.749186  0.624483  0.500704  1
  W  W36  1  0.831891  0.749812  0.499710  1
  W  W37  1  0.916058  0.875326  0.497921  1
  W  W38  1  0.500231  0.000012  0.500469  1
  W  W39  1  0.583333  0.124918  0.500681  1
  W  W40  1  0.666459  0.249911  0.500846  1
  W  W41  1  0.749828  0.374785  0.500844  1
  W  W42  1  0.832851  0.499245  0.500517  1
  W  W43  1  0.915819  0.623990  0.499475  1
  W  W44  1  0.666436  0.000012  0.500469  1
  W  W45  1  0.750000  0.125055  0.500529  1
  W  W46  1  0.833194  0.250152  0.500691  1
  W  W47  1  0.916437  0.375136  0.500657  1
  W  W48  1  0.833068  0.000624  0.499846  1
  W  W49  1  0.916132  0.125799  0.500354  1
  S  S50  1  0.168843  0.919493  0.386328  1
  S  S51  1  0.083333  0.540492  0.388522  1
  S  S52  1  0.168424  0.663754  0.386315  1
  S  S53  1  0.253958  0.791893  0.386385  1
  S  S54  1  0.334568  0.917251  0.388751  1
  S  S55  1  0.083333  0.291938  0.389805  1
  S  S56  1  0.166782  0.416318  0.389527  1
  S  S57  1  0.250986  0.540546  0.389114  1
  S  S58  1  0.334905  0.665873  0.389297  1
  S  S59  1  0.418147  0.791542  0.389328  1
  S  S60  1  0.500400  0.916749  0.389565  1
  S  S61  1  0.083333  0.043367  0.389071  1
  S  S62  1  0.166865  0.167443  0.389770  1
  S  S63  1  0.250148  0.291856  0.390026  1
  S  S64  1  0.333748  0.416199  0.389699  1
  S  S65  1  0.417192  0.541157  0.389926  1
  S  S66  1  0.500537  0.666353  0.390006  1
  S  S67  1  0.583333  0.791561  0.389669  1
  S  S68  1  0.666267  0.916749  0.389565  1
  S  S69  1  0.250794  0.043008  0.389028  1
  S  S70  1  0.333751  0.167157  0.389581  1
  S  S71  1  0.416934  0.291587  0.390062  1
  S  S72  1  0.500184  0.416399  0.390233  1
  S  S73  1  0.583334  0.541277  0.390009  1
  S  S74  1  0.666130  0.666353  0.390006  1
  S  S75  1  0.748521  0.791543  0.389328  1
  S  S76  1  0.832099  0.917251  0.388751  1
  S  S77  1  0.417204  0.041901  0.389458  1
  S  S78  1  0.500094  0.166667  0.390003  1
  S  S79  1  0.583333  0.291514  0.390030  1
  S  S80  1  0.666482  0.416400  0.390233  1
  S  S81  1  0.749475  0.541157  0.389926  1
  S  S82  1  0.831762  0.665873  0.389297  1
  S  S83  1  0.912709  0.791893  0.386386  1
  S  S84  1  -0.002176  0.919493  0.386328  1
  S  S85  1  0.583333  0.041729  0.389668  1
  S  S86  1  0.666573  0.166667  0.390003  1
  S  S87  1  0.749733  0.291587  0.390062  1
  S  S88  1  0.832919  0.416199  0.389699  1
  S  S89  1  0.915680  0.540546  0.389114  1
  S  S90  1  -0.001758  0.663754  0.386315  1
  S  S91  1  0.749462  0.041901  0.389458  1
  S  S92  1  0.832917  0.167157  0.389582  1
  S  S93  1  0.916518  0.291856  0.390026  1
  S  S94  1  -0.000115  0.416318  0.389527  1
  S  S95  1  0.915872  0.043007  0.389028  1
  S  S96  1  -0.000199  0.167443  0.389770  1
  S  S97  1  0.083333  0.791757  0.595472  1
  S  S98  1  0.167780  0.917764  0.609768  1
  S  S99  1  0.083333  0.541841  0.609692  1
  S  S100  1  0.166984  0.665402  0.609735  1
  S  S101  1  0.251444  0.792110  0.609969  1
  S  S102  1  0.333202  0.916725  0.609818  1
  S  S103  1  0.083333  0.292022  0.611611  1
  S  S104  1  0.166710  0.416825  0.611218  1
  S  S105  1  0.250405  0.541172  0.610854  1
  S  S106  1  0.333841  0.666296  0.610667  1
  S  S107  1  0.417258  0.791635  0.611176  1
  S  S108  1  0.500022  0.916650  0.611325  1
  S  S109  1  0.083333  0.042398  0.610297  1
  S  S110  1  0.166873  0.167125  0.611344  1
  S  S111  1  0.250127  0.291883  0.611416  1
  S  S112  1  0.333579  0.416367  0.611691  1
  S  S113  1  0.416855  0.541254  0.611628  1
  S  S114  1  0.500284  0.666467  0.611747  1
  S  S115  1  0.583333  0.791680  0.611838  1
  S  S116  1  0.666645  0.916650  0.611326  1
  S  S117  1  0.250351  0.042327  0.610719  1
  S  S118  1  0.333620  0.166946  0.611485  1
  S  S119  1  0.416807  0.291526  0.611548  1
  S  S120  1  0.500096  0.416388  0.611665  1
  S  S121  1  0.583333  0.541302  0.611989  1
  S  S122  1  0.666383  0.666468  0.611746  1
  S  S123  1  0.749409  0.791635  0.611176  1
  S  S124  1  0.833465  0.916725  0.609818  1
  S  S125  1  0.416746  0.041646  0.611135  1
  S  S126  1  0.500003  0.166499  0.611390  1
  S  S127  1  0.583333  0.291426  0.611833  1
  S  S128  1  0.666571  0.416388  0.611665  1
  S  S129  1  0.749812  0.541254  0.611628  1
  S  S130  1  0.832826  0.666296  0.610667  1
  S  S131  1  0.915222  0.792110  0.609969  1
  S  S132  1  -0.001114  0.917764  0.609768  1
  S  S133  1  0.583333  0.041593  0.611413  1
  S  S134  1  0.666664  0.166499  0.611390  1
  S  S135  1  0.749859  0.291526  0.611548  1
  S  S136  1  0.833088  0.416367  0.611691  1
  S  S137  1  0.916262  0.541172  0.610854  1
  S  S138  1  -0.000318  0.665402  0.609735  1
  S  S139  1  0.749921  0.041646  0.611135  1
  S  S140  1  0.833047  0.166946  0.611486  1
  S  S141  1  0.916540  0.291883  0.611416  1
  S  S142  1  -0.000044  0.416825  0.611218  1
  S  S143  1  0.916316  0.042327  0.610719  1
  S  S144  1  -0.000206  0.167125  0.611344  1
