# 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  0.791712  0.392941  1
  W  W2  1  -0.006434  0.746821  0.496752  1
  W  W3  1  0.083334  0.881562  0.496740  1
  W  W4  1  -0.000414  0.499447  0.499852  1
  W  W5  1  0.083333  0.624203  0.497927  1
  W  W6  1  0.173100  0.746821  0.496753  1
  W  W7  1  0.250766  0.875433  0.498035  1
  W  W8  1  -0.000026  0.250401  0.500798  1
  W  W9  1  0.083333  0.374963  0.500581  1
  W  W10  1  0.167080  0.499447  0.499852  1
  W  W11  1  0.250830  0.623748  0.499641  1
  W  W12  1  0.334915  0.749958  0.499832  1
  W  W13  1  0.417358  0.875016  0.500109  1
  W  W14  1  -0.000834  0.001395  0.499591  1
  W  W15  1  0.083333  0.125950  0.500435  1
  W  W16  1  0.166693  0.250401  0.500798  1
  W  W17  1  0.250190  0.374950  0.500622  1
  W  W18  1  0.333830  0.499311  0.500414  1
  W  W19  1  0.417343  0.624521  0.500659  1
  W  W20  1  0.500521  0.749870  0.500786  1
  W  W21  1  0.583333  0.874990  0.500714  1
  W  W22  1  0.167500  0.001395  0.499591  1
  W  W23  1  0.250401  0.125798  0.500378  1
  W  W24  1  0.333509  0.250181  0.500618  1
  W  W25  1  0.416884  0.374737  0.500573  1
  W  W26  1  0.500212  0.499660  0.500814  1
  W  W27  1  0.583333  0.624583  0.501027  1
  W  W28  1  0.666146  0.749870  0.500786  1
  W  W29  1  0.749310  0.875016  0.500110  1
  W  W30  1  0.333735  0.000667  0.499868  1
  W  W31  1  0.416789  0.125172  0.500413  1
  W  W32  1  0.500149  0.249907  0.500410  1
  W  W33  1  0.583333  0.374667  0.500545  1
  W  W34  1  0.666454  0.499660  0.500814  1
  W  W35  1  0.749324  0.624520  0.500659  1
  W  W36  1  0.831752  0.749958  0.499832  1
  W  W37  1  0.915901  0.875433  0.498035  1
  W  W38  1  0.500180  0.000114  0.500491  1
  W  W39  1  0.583333  0.125000  0.500496  1
  W  W40  1  0.666518  0.249907  0.500411  1
  W  W41  1  0.749783  0.374737  0.500574  1
  W  W42  1  0.832837  0.499311  0.500414  1
  W  W43  1  0.915837  0.623748  0.499641  1
  W  W44  1  0.666486  0.000114  0.500492  1
  W  W45  1  0.749878  0.125172  0.500413  1
  W  W46  1  0.833158  0.250180  0.500618  1
  W  W47  1  0.916477  0.374950  0.500622  1
  W  W48  1  0.832932  0.000667  0.499869  1
  W  W49  1  0.916266  0.125798  0.500378  1
  S  S50  1  0.168828  0.919484  0.386795  1
  S  S51  1  0.083334  0.540315  0.388592  1
  S  S52  1  0.168357  0.663726  0.386751  1
  S  S53  1  0.253793  0.791913  0.386846  1
  S  S54  1  0.334687  0.917340  0.388738  1
  S  S55  1  0.083333  0.291837  0.389801  1
  S  S56  1  0.166783  0.416137  0.389407  1
  S  S57  1  0.250869  0.540437  0.389006  1
  S  S58  1  0.334718  0.665977  0.389402  1
  S  S59  1  0.418164  0.791647  0.389284  1
  S  S60  1  0.500473  0.916838  0.389529  1
  S  S61  1  0.083333  0.043201  0.389247  1
  S  S62  1  0.166808  0.167440  0.389680  1
  S  S63  1  0.250108  0.291771  0.389815  1
  S  S64  1  0.333668  0.416161  0.389550  1
  S  S65  1  0.417195  0.541200  0.389768  1
  S  S66  1  0.500480  0.666395  0.390002  1
  S  S67  1  0.583333  0.791616  0.389791  1
  S  S68  1  0.666194  0.916838  0.389529  1
  S  S69  1  0.250835  0.043018  0.389012  1
  S  S70  1  0.333687  0.167163  0.389490  1
  S  S71  1  0.416829  0.291571  0.389607  1
  S  S72  1  0.500150  0.416434  0.389753  1
  S  S73  1  0.583333  0.541373  0.389958  1
  S  S74  1  0.666187  0.666395  0.390001  1
  S  S75  1  0.748502  0.791647  0.389284  1
  S  S76  1  0.831980  0.917340  0.388738  1
  S  S77  1  0.417214  0.042000  0.389314  1
  S  S78  1  0.500118  0.166651  0.389532  1
  S  S79  1  0.583333  0.291526  0.389423  1
  S  S80  1  0.666517  0.416434  0.389753  1
  S  S81  1  0.749471  0.541200  0.389768  1
  S  S82  1  0.831948  0.665977  0.389402  1
  S  S83  1  0.912874  0.791913  0.386846  1
  S  S84  1  -0.002162  0.919485  0.386794  1
  S  S85  1  0.583333  0.041741  0.389585  1
  S  S86  1  0.666548  0.166651  0.389532  1
  S  S87  1  0.749838  0.291570  0.389607  1
  S  S88  1  0.832999  0.416161  0.389550  1
  S  S89  1  0.915798  0.540437  0.389006  1
  S  S90  1  -0.001690  0.663726  0.386751  1
  S  S91  1  0.749452  0.042000  0.389314  1
  S  S92  1  0.832980  0.167163  0.389490  1
  S  S93  1  0.916559  0.291771  0.389815  1
  S  S94  1  -0.000116  0.416137  0.389407  1
  S  S95  1  0.915831  0.043018  0.389013  1
  S  S96  1  -0.000141  0.167440  0.389681  1
  S  S97  1  0.083333  0.791730  0.597912  1
  S  S98  1  0.167862  0.917729  0.609730  1
  S  S99  1  0.083333  0.541579  0.609745  1
  S  S100  1  0.166959  0.665282  0.609741  1
  S  S101  1  0.251421  0.792159  0.609840  1
  S  S102  1  0.333365  0.916833  0.609906  1
  S  S103  1  0.083333  0.291946  0.611751  1
  S  S104  1  0.166740  0.416652  0.611344  1
  S  S105  1  0.250378  0.540951  0.610921  1
  S  S106  1  0.333746  0.666348  0.610691  1
  S  S107  1  0.417300  0.791760  0.611302  1
  S  S108  1  0.500057  0.916784  0.611447  1
  S  S109  1  0.083333  0.042350  0.610469  1
  S  S110  1  0.166814  0.167121  0.611480  1
  S  S111  1  0.250176  0.291814  0.611623  1
  S  S112  1  0.333641  0.416301  0.611538  1
  S  S113  1  0.416877  0.541240  0.611580  1
  S  S114  1  0.500192  0.666448  0.611822  1
  S  S115  1  0.583333  0.791712  0.611872  1
  S  S116  1  0.666609  0.916783  0.611447  1
  S  S117  1  0.250523  0.042420  0.610895  1
  S  S118  1  0.333647  0.166986  0.611476  1
  S  S119  1  0.416948  0.291528  0.611459  1
  S  S120  1  0.500146  0.416283  0.611538  1
  S  S121  1  0.583333  0.541255  0.611919  1
  S  S122  1  0.666475  0.666448  0.611822  1
  S  S123  1  0.749367  0.791760  0.611302  1
  S  S124  1  0.833303  0.916833  0.609907  1
  S  S125  1  0.416791  0.041830  0.611219  1
  S  S126  1  0.500066  0.166652  0.611335  1
  S  S127  1  0.583333  0.291429  0.611408  1
  S  S128  1  0.666520  0.416283  0.611538  1
  S  S129  1  0.749788  0.541240  0.611579  1
  S  S130  1  0.832921  0.666348  0.610692  1
  S  S131  1  0.915245  0.792159  0.609841  1
  S  S132  1  -0.001195  0.917729  0.609730  1
  S  S133  1  0.583333  0.041740  0.611461  1
  S  S134  1  0.666601  0.166652  0.611335  1
  S  S135  1  0.749722  0.291528  0.611459  1
  S  S136  1  0.833026  0.416301  0.611538  1
  S  S137  1  0.916288  0.540950  0.610921  1
  S  S138  1  -0.000292  0.665282  0.609741  1
  S  S139  1  0.749876  0.041829  0.611219  1
  S  S140  1  0.833020  0.166985  0.611476  1
  S  S141  1  0.916491  0.291814  0.611623  1
  S  S142  1  -0.000074  0.416652  0.611344  1
  S  S143  1  0.916143  0.042420  0.610895  1
  S  S144  1  -0.000147  0.167120  0.611480  1
