# 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  0.791697  0.393723  1
  W  W2  1  -0.006332  0.746779  0.497316  1
  W  W3  1  0.083333  0.881470  0.497234  1
  W  W4  1  -0.000363  0.499355  0.499942  1
  W  W5  1  0.083333  0.624125  0.498317  1
  W  W6  1  0.172997  0.746780  0.497316  1
  W  W7  1  0.250752  0.875482  0.498350  1
  W  W8  1  -0.000083  0.250323  0.500626  1
  W  W9  1  0.083333  0.374896  0.500430  1
  W  W10  1  0.167030  0.499355  0.499942  1
  W  W11  1  0.250808  0.623589  0.499891  1
  W  W12  1  0.334976  0.749993  0.500005  1
  W  W13  1  0.417336  0.875113  0.500097  1
  W  W14  1  -0.000903  0.001421  0.499850  1
  W  W15  1  0.083333  0.125856  0.500417  1
  W  W16  1  0.166750  0.250323  0.500626  1
  W  W17  1  0.250194  0.374876  0.500444  1
  W  W18  1  0.333841  0.499300  0.500373  1
  W  W19  1  0.417287  0.624499  0.500569  1
  W  W20  1  0.500519  0.749878  0.500740  1
  W  W21  1  0.583334  0.875113  0.500688  1
  W  W22  1  0.167570  0.001421  0.499851  1
  W  W23  1  0.250398  0.125775  0.500402  1
  W  W24  1  0.333550  0.250190  0.500414  1
  W  W25  1  0.416889  0.374753  0.500308  1
  W  W26  1  0.500185  0.499640  0.500601  1
  W  W27  1  0.583333  0.624624  0.500961  1
  W  W28  1  0.666148  0.749878  0.500740  1
  W  W29  1  0.749331  0.875114  0.500097  1
  W  W30  1  0.333752  0.000686  0.499947  1
  W  W31  1  0.416844  0.125238  0.500317  1
  W  W32  1  0.500118  0.249973  0.500099  1
  W  W33  1  0.583333  0.374759  0.500183  1
  W  W34  1  0.666482  0.499641  0.500601  1
  W  W35  1  0.749380  0.624499  0.500569  1
  W  W36  1  0.831691  0.749993  0.500005  1
  W  W37  1  0.915915  0.875482  0.498350  1
  W  W38  1  0.500165  0.000210  0.500410  1
  W  W39  1  0.583334  0.125093  0.500239  1
  W  W40  1  0.666548  0.249973  0.500099  1
  W  W41  1  0.749777  0.374753  0.500309  1
  W  W42  1  0.832826  0.499300  0.500373  1
  W  W43  1  0.915858  0.623589  0.499891  1
  W  W44  1  0.666502  0.000210  0.500410  1
  W  W45  1  0.749822  0.125238  0.500316  1
  W  W46  1  0.833117  0.250190  0.500414  1
  W  W47  1  0.916472  0.374877  0.500445  1
  W  W48  1  0.832915  0.000687  0.499946  1
  W  W49  1  0.916269  0.125775  0.500402  1
  S  S50  1  0.168728  0.919415  0.387211  1
  S  S51  1  0.083333  0.540341  0.388826  1
  S  S52  1  0.168275  0.663752  0.387235  1
  S  S53  1  0.253630  0.791910  0.387314  1
  S  S54  1  0.334547  0.917378  0.388895  1
  S  S55  1  0.083333  0.291734  0.389709  1
  S  S56  1  0.166784  0.416135  0.389342  1
  S  S57  1  0.250786  0.540405  0.389136  1
  S  S58  1  0.334505  0.665996  0.389553  1
  S  S59  1  0.418097  0.791669  0.389338  1
  S  S60  1  0.500447  0.916920  0.389503  1
  S  S61  1  0.083333  0.043008  0.389437  1
  S  S62  1  0.166830  0.167307  0.389652  1
  S  S63  1  0.250117  0.291719  0.389644  1
  S  S64  1  0.333619  0.416199  0.389418  1
  S  S65  1  0.417126  0.541206  0.389653  1
  S  S66  1  0.500469  0.666394  0.389960  1
  S  S67  1  0.583334  0.791726  0.389820  1
  S  S68  1  0.666220  0.916920  0.389503  1
  S  S69  1  0.250787  0.042969  0.389140  1
  S  S70  1  0.333679  0.167117  0.389445  1
  S  S71  1  0.416785  0.291622  0.389325  1
  S  S72  1  0.500093  0.416504  0.389450  1
  S  S73  1  0.583333  0.541428  0.389879  1
  S  S74  1  0.666197  0.666394  0.389959  1
  S  S75  1  0.748570  0.791670  0.389338  1
  S  S76  1  0.832119  0.917378  0.388895  1
  S  S77  1  0.417157  0.042048  0.389308  1
  S  S78  1  0.500080  0.166697  0.389308  1
  S  S79  1  0.583333  0.291580  0.389142  1
  S  S80  1  0.666574  0.416504  0.389450  1
  S  S81  1  0.749541  0.541206  0.389653  1
  S  S82  1  0.832161  0.665997  0.389553  1
  S  S83  1  0.913037  0.791910  0.387314  1
  S  S84  1  -0.002061  0.919415  0.387211  1
  S  S85  1  0.583334  0.041787  0.389471  1
  S  S86  1  0.666587  0.166697  0.389309  1
  S  S87  1  0.749882  0.291622  0.389326  1
  S  S88  1  0.833048  0.416199  0.389419  1
  S  S89  1  0.915880  0.540405  0.389136  1
  S  S90  1  -0.001608  0.663751  0.387235  1
  S  S91  1  0.749510  0.042048  0.389308  1
  S  S92  1  0.832987  0.167116  0.389445  1
  S  S93  1  0.916550  0.291719  0.389645  1
  S  S94  1  -0.000117  0.416135  0.389342  1
  S  S95  1  0.915880  0.042969  0.389141  1
  S  S96  1  -0.000164  0.167307  0.389652  1
  S  S97  1  0.083332  0.791701  0.598544  1
  S  S98  1  0.167925  0.917814  0.610047  1
  S  S99  1  0.083334  0.541437  0.609965  1
  S  S100  1  0.167025  0.665101  0.610082  1
  S  S101  1  0.251572  0.792170  0.610086  1
  S  S102  1  0.333405  0.916883  0.610018  1
  S  S103  1  0.083334  0.291854  0.611494  1
  S  S104  1  0.166757  0.416490  0.611219  1
  S  S105  1  0.250403  0.540775  0.611006  1
  S  S106  1  0.333785  0.666286  0.610733  1
  S  S107  1  0.417382  0.791833  0.611218  1
  S  S108  1  0.500065  0.916909  0.611371  1
  S  S109  1  0.083333  0.042377  0.610629  1
  S  S110  1  0.166832  0.167122  0.611399  1
  S  S111  1  0.250223  0.291774  0.611403  1
  S  S112  1  0.333672  0.416208  0.611351  1
  S  S113  1  0.416933  0.541181  0.611443  1
  S  S114  1  0.500171  0.666430  0.611692  1
  S  S115  1  0.583334  0.791783  0.611769  1
  S  S116  1  0.666602  0.916909  0.611371  1
  S  S117  1  0.250595  0.042469  0.611008  1
  S  S118  1  0.333730  0.167061  0.611357  1
  S  S119  1  0.416982  0.291573  0.611159  1
  S  S120  1  0.500154  0.416282  0.611227  1
  S  S121  1  0.583333  0.541204  0.611674  1
  S  S122  1  0.666496  0.666430  0.611692  1
  S  S123  1  0.749285  0.791833  0.611218  1
  S  S124  1  0.833262  0.916883  0.610018  1
  S  S125  1  0.416840  0.041924  0.611170  1
  S  S126  1  0.500136  0.166787  0.611072  1
  S  S127  1  0.583333  0.291525  0.610975  1
  S  S128  1  0.666512  0.416282  0.611227  1
  S  S129  1  0.749734  0.541181  0.611443  1
  S  S130  1  0.832881  0.666285  0.610733  1
  S  S131  1  0.915095  0.792170  0.610086  1
  S  S132  1  -0.001258  0.917815  0.610046  1
  S  S133  1  0.583333  0.041895  0.611282  1
  S  S134  1  0.666531  0.166787  0.611072  1
  S  S135  1  0.749684  0.291572  0.611160  1
  S  S136  1  0.832993  0.416208  0.611352  1
  S  S137  1  0.916263  0.540775  0.611005  1
  S  S138  1  -0.000359  0.665100  0.610083  1
  S  S139  1  0.749827  0.041925  0.611170  1
  S  S140  1  0.832938  0.167061  0.611356  1
  S  S141  1  0.916443  0.291774  0.611403  1
  S  S142  1  -0.000090  0.416491  0.611219  1
  S  S143  1  0.916072  0.042469  0.611008  1
  S  S144  1  -0.000165  0.167123  0.611399  1
