# 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  0.791676  0.392929  1
  W  W2  1  -0.006951  0.746653  0.496280  1
  W  W3  1  0.083333  0.882022  0.496279  1
  W  W4  1  -0.000443  0.499610  0.499777  1
  W  W5  1  0.083333  0.624325  0.497525  1
  W  W6  1  0.173618  0.746653  0.496280  1
  W  W7  1  0.250668  0.875371  0.497756  1
  W  W8  1  0.000007  0.250436  0.500838  1
  W  W9  1  0.083333  0.375047  0.500600  1
  W  W10  1  0.167110  0.499610  0.499777  1
  W  W11  1  0.250832  0.623927  0.499364  1
  W  W12  1  0.334803  0.749856  0.499628  1
  W  W13  1  0.417306  0.874957  0.500084  1
  W  W14  1  -0.000683  0.001313  0.499233  1
  W  W15  1  0.083333  0.126005  0.500400  1
  W  W16  1  0.166660  0.250436  0.500837  1
  W  W17  1  0.250250  0.375085  0.500720  1
  W  W18  1  0.333836  0.499270  0.500530  1
  W  W19  1  0.417423  0.624486  0.500705  1
  W  W20  1  0.500571  0.749856  0.500776  1
  W  W21  1  0.583333  0.874907  0.500697  1
  W  W22  1  0.167350  0.001313  0.499232  1
  W  W23  1  0.250495  0.125794  0.500367  1
  W  W24  1  0.333514  0.250152  0.500788  1
  W  W25  1  0.416865  0.374765  0.500950  1
  W  W26  1  0.500231  0.499694  0.501052  1
  W  W27  1  0.583333  0.624456  0.501082  1
  W  W28  1  0.666096  0.749856  0.500775  1
  W  W29  1  0.749361  0.874957  0.500085  1
  W  W30  1  0.333657  0.000642  0.499804  1
  W  W31  1  0.416721  0.125099  0.500578  1
  W  W32  1  0.500193  0.249905  0.500952  1
  W  W33  1  0.583333  0.374604  0.501093  1
  W  W34  1  0.666437  0.499694  0.501053  1
  W  W35  1  0.749244  0.624486  0.500705  1
  W  W36  1  0.831863  0.749856  0.499628  1
  W  W37  1  0.916000  0.875371  0.497756  1
  W  W38  1  0.500215  0.000052  0.500515  1
  W  W39  1  0.583333  0.124943  0.500755  1
  W  W40  1  0.666473  0.249905  0.500953  1
  W  W41  1  0.749802  0.374765  0.500950  1
  W  W42  1  0.832831  0.499270  0.500530  1
  W  W43  1  0.915835  0.623927  0.499364  1
  W  W44  1  0.666451  0.000052  0.500516  1
  W  W45  1  0.749945  0.125099  0.500579  1
  W  W46  1  0.833153  0.250152  0.500789  1
  W  W47  1  0.916417  0.375084  0.500720  1
  W  W48  1  0.833010  0.000642  0.499805  1
  W  W49  1  0.916172  0.125794  0.500368  1
  S  S50  1  0.168860  0.919494  0.386261  1
  S  S51  1  0.083333  0.540370  0.388348  1
  S  S52  1  0.168415  0.663728  0.386221  1
  S  S53  1  0.253968  0.791912  0.386336  1
  S  S54  1  0.334675  0.917322  0.388624  1
  S  S55  1  0.083333  0.291908  0.389882  1
  S  S56  1  0.166820  0.416224  0.389495  1
  S  S57  1  0.250998  0.540461  0.389001  1
  S  S58  1  0.334880  0.665889  0.389217  1
  S  S59  1  0.418207  0.791587  0.389284  1
  S  S60  1  0.500451  0.916799  0.389549  1
  S  S61  1  0.083333  0.043339  0.388969  1
  S  S62  1  0.166856  0.167461  0.389751  1
  S  S63  1  0.250190  0.291823  0.390043  1
  S  S64  1  0.333787  0.416168  0.389736  1
  S  S65  1  0.417243  0.541140  0.389919  1
  S  S66  1  0.500533  0.666331  0.390029  1
  S  S67  1  0.583333  0.791567  0.389747  1
  S  S68  1  0.666216  0.916799  0.389550  1
  S  S69  1  0.250855  0.043054  0.388929  1
  S  S70  1  0.333766  0.167178  0.389597  1
  S  S71  1  0.416962  0.291582  0.390087  1
  S  S72  1  0.500201  0.416360  0.390248  1
  S  S73  1  0.583334  0.541256  0.390096  1
  S  S74  1  0.666134  0.666331  0.390029  1
  S  S75  1  0.748460  0.791587  0.389283  1
  S  S76  1  0.831992  0.917323  0.388624  1
  S  S77  1  0.417255  0.041977  0.389412  1
  S  S78  1  0.500134  0.166713  0.389981  1
  S  S79  1  0.583333  0.291498  0.390083  1
  S  S80  1  0.666466  0.416360  0.390249  1
  S  S81  1  0.749424  0.541140  0.389920  1
  S  S82  1  0.831787  0.665889  0.389217  1
  S  S83  1  0.912699  0.791912  0.386336  1
  S  S84  1  -0.002193  0.919494  0.386261  1
  S  S85  1  0.583333  0.041762  0.389679  1
  S  S86  1  0.666532  0.166713  0.389981  1
  S  S87  1  0.749704  0.291582  0.390088  1
  S  S88  1  0.832879  0.416168  0.389738  1
  S  S89  1  0.915669  0.540461  0.389001  1
  S  S90  1  -0.001748  0.663728  0.386221  1
  S  S91  1  0.749412  0.041977  0.389413  1
  S  S92  1  0.832900  0.167178  0.389598  1
  S  S93  1  0.916477  0.291823  0.390043  1
  S  S94  1  -0.000154  0.416224  0.389496  1
  S  S95  1  0.915812  0.043054  0.388930  1
  S  S96  1  -0.000190  0.167461  0.389751  1
  S  S97  1  0.083333  0.791750  0.596320  1
  S  S98  1  0.167771  0.917717  0.609536  1
  S  S99  1  0.083333  0.541835  0.609600  1
  S  S100  1  0.166929  0.665429  0.609475  1
  S  S101  1  0.251369  0.792135  0.609725  1
  S  S102  1  0.333185  0.916749  0.609792  1
  S  S103  1  0.083333  0.292012  0.611719  1
  S  S104  1  0.166728  0.416821  0.611283  1
  S  S105  1  0.250356  0.541161  0.610813  1
  S  S106  1  0.333737  0.666330  0.610598  1
  S  S107  1  0.417208  0.791679  0.611177  1
  S  S108  1  0.500031  0.916702  0.611414  1
  S  S109  1  0.083334  0.042318  0.610249  1
  S  S110  1  0.166852  0.167103  0.611425  1
  S  S111  1  0.250163  0.291872  0.611589  1
  S  S112  1  0.333583  0.416380  0.611785  1
  S  S113  1  0.416848  0.541261  0.611700  1
  S  S114  1  0.500228  0.666451  0.611831  1
  S  S115  1  0.583333  0.791679  0.611903  1
  S  S116  1  0.666636  0.916702  0.611414  1
  S  S117  1  0.250376  0.042310  0.610706  1
  S  S118  1  0.333613  0.166923  0.611569  1
  S  S119  1  0.416830  0.291515  0.611740  1
  S  S120  1  0.500110  0.416362  0.611853  1
  S  S121  1  0.583333  0.541278  0.612105  1
  S  S122  1  0.666439  0.666451  0.611831  1
  S  S123  1  0.749459  0.791679  0.611177  1
  S  S124  1  0.833483  0.916748  0.609792  1
  S  S125  1  0.416737  0.041684  0.611219  1
  S  S126  1  0.500019  0.166513  0.611560  1
  S  S127  1  0.583333  0.291409  0.611991  1
  S  S128  1  0.666556  0.416362  0.611853  1
  S  S129  1  0.749819  0.541261  0.611701  1
  S  S130  1  0.832930  0.666330  0.610598  1
  S  S131  1  0.915298  0.792135  0.609725  1
  S  S132  1  -0.001104  0.917717  0.609536  1
  S  S133  1  0.583333  0.041617  0.611520  1
  S  S134  1  0.666647  0.166513  0.611561  1
  S  S135  1  0.749837  0.291515  0.611740  1
  S  S136  1  0.833083  0.416380  0.611785  1
  S  S137  1  0.916311  0.541161  0.610813  1
  S  S138  1  -0.000262  0.665428  0.609475  1
  S  S139  1  0.749929  0.041684  0.611220  1
  S  S140  1  0.833053  0.166923  0.611570  1
  S  S141  1  0.916503  0.291872  0.611590  1
  S  S142  1  -0.000061  0.416821  0.611283  1
  S  S143  1  0.916291  0.042310  0.610706  1
  S  S144  1  -0.000186  0.167103  0.611426  1
