# 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  0.791673  0.394451  1
  W  W2  1  -0.007688  0.746307  0.496719  1
  W  W3  1  0.083333  0.882778  0.496752  1
  W  W4  1  -0.000534  0.499695  0.499811  1
  W  W5  1  0.083333  0.624428  0.497924  1
  W  W6  1  0.174355  0.746307  0.496719  1
  W  W7  1  0.250563  0.875299  0.498059  1
  W  W8  1  0.000116  0.250533  0.500821  1
  W  W9  1  0.083333  0.375104  0.500574  1
  W  W10  1  0.167201  0.499695  0.499811  1
  W  W11  1  0.250879  0.624011  0.499465  1
  W  W12  1  0.334777  0.749769  0.499695  1
  W  W13  1  0.417271  0.874809  0.500121  1
  W  W14  1  -0.000552  0.001356  0.499369  1
  W  W15  1  0.083333  0.126217  0.500388  1
  W  W16  1  0.166551  0.250533  0.500821  1
  W  W17  1  0.250183  0.375194  0.500645  1
  W  W18  1  0.333794  0.499178  0.500418  1
  W  W19  1  0.417556  0.624431  0.500685  1
  W  W20  1  0.500629  0.749882  0.500782  1
  W  W21  1  0.583333  0.874839  0.500746  1
  W  W22  1  0.167219  0.001356  0.499369  1
  W  W23  1  0.250541  0.125884  0.500329  1
  W  W24  1  0.333414  0.250184  0.500660  1
  W  W25  1  0.416801  0.374758  0.500693  1
  W  W26  1  0.500256  0.499725  0.500945  1
  W  W27  1  0.583333  0.624341  0.501112  1
  W  W28  1  0.666038  0.749882  0.500782  1
  W  W29  1  0.749396  0.874809  0.500121  1
  W  W30  1  0.333490  0.000677  0.499826  1
  W  W31  1  0.416575  0.125017  0.500447  1
  W  W32  1  0.500223  0.249875  0.500573  1
  W  W33  1  0.583333  0.374524  0.500747  1
  W  W34  1  0.666411  0.499725  0.500945  1
  W  W35  1  0.749110  0.624432  0.500685  1
  W  W36  1  0.831889  0.749769  0.499695  1
  W  W37  1  0.916104  0.875300  0.498059  1
  W  W38  1  0.500216  -0.000035  0.500535  1
  W  W39  1  0.583333  0.124883  0.500583  1
  W  W40  1  0.666443  0.249875  0.500573  1
  W  W41  1  0.749866  0.374758  0.500693  1
  W  W42  1  0.832873  0.499178  0.500418  1
  W  W43  1  0.915788  0.624011  0.499465  1
  W  W44  1  0.666451  -0.000035  0.500534  1
  W  W45  1  0.750091  0.125017  0.500447  1
  W  W46  1  0.833252  0.250184  0.500660  1
  W  W47  1  0.916484  0.375194  0.500645  1
  W  W48  1  0.833176  0.000678  0.499826  1
  W  W49  1  0.916126  0.125884  0.500329  1
  S  S50  1  0.168775  0.919516  0.386431  1
  S  S51  1  0.083333  0.540587  0.388663  1
  S  S52  1  0.168444  0.663782  0.386392  1
  S  S53  1  0.253911  0.791860  0.386440  1
  S  S54  1  0.334484  0.917205  0.388873  1
  S  S55  1  0.083334  0.292016  0.389857  1
  S  S56  1  0.166725  0.416358  0.389513  1
  S  S57  1  0.250984  0.540594  0.389050  1
  S  S58  1  0.335005  0.665844  0.389331  1
  S  S59  1  0.418150  0.791487  0.389347  1
  S  S60  1  0.500367  0.916695  0.389672  1
  S  S61  1  0.083333  0.043521  0.389123  1
  S  S62  1  0.166880  0.167568  0.389799  1
  S  S63  1  0.250046  0.291907  0.390089  1
  S  S64  1  0.333672  0.416170  0.389613  1
  S  S65  1  0.417219  0.541112  0.389909  1
  S  S66  1  0.500607  0.666357  0.390109  1
  S  S67  1  0.583333  0.791580  0.389762  1
  S  S68  1  0.666300  0.916695  0.389672  1
  S  S69  1  0.250669  0.043052  0.389052  1
  S  S70  1  0.333699  0.167204  0.389552  1
  S  S71  1  0.416840  0.291547  0.389957  1
  S  S72  1  0.500161  0.416400  0.390141  1
  S  S73  1  0.583333  0.541274  0.390029  1
  S  S74  1  0.666060  0.666357  0.390110  1
  S  S75  1  0.748517  0.791487  0.389347  1
  S  S76  1  0.832183  0.917205  0.388873  1
  S  S77  1  0.417152  0.041810  0.389480  1
  S  S78  1  0.500044  0.166558  0.389903  1
  S  S79  1  0.583333  0.291476  0.389718  1
  S  S80  1  0.666506  0.416400  0.390141  1
  S  S81  1  0.749448  0.541112  0.389909  1
  S  S82  1  0.831662  0.665844  0.389331  1
  S  S83  1  0.912756  0.791861  0.386441  1
  S  S84  1  -0.002108  0.919516  0.386431  1
  S  S85  1  0.583333  0.041622  0.389744  1
  S  S86  1  0.666623  0.166558  0.389902  1
  S  S87  1  0.749826  0.291547  0.389957  1
  S  S88  1  0.832995  0.416170  0.389613  1
  S  S89  1  0.915682  0.540594  0.389050  1
  S  S90  1  -0.001778  0.663782  0.386392  1
  S  S91  1  0.749514  0.041810  0.389480  1
  S  S92  1  0.832968  0.167204  0.389552  1
  S  S93  1  0.916621  0.291907  0.390088  1
  S  S94  1  -0.000058  0.416358  0.389513  1
  S  S95  1  0.915998  0.043052  0.389052  1
  S  S96  1  -0.000213  0.167568  0.389799  1
  S  S97  1  0.083333  0.791752  0.594927  1
  S  S98  1  0.167855  0.917904  0.609991  1
  S  S99  1  0.083333  0.541765  0.609610  1
  S  S100  1  0.167096  0.665282  0.609976  1
  S  S101  1  0.251591  0.792097  0.610172  1
  S  S102  1  0.333231  0.916760  0.609763  1
  S  S103  1  0.083333  0.292131  0.611740  1
  S  S104  1  0.166702  0.416887  0.611215  1
  S  S105  1  0.250471  0.541146  0.610779  1
  S  S106  1  0.333946  0.666245  0.610606  1
  S  S107  1  0.417244  0.791575  0.611217  1
  S  S108  1  0.499974  0.916605  0.611375  1
  S  S109  1  0.083333  0.042599  0.610291  1
  S  S110  1  0.166876  0.167198  0.611329  1
  S  S111  1  0.250105  0.291951  0.611436  1
  S  S112  1  0.333583  0.416341  0.611598  1
  S  S113  1  0.416819  0.541187  0.611521  1
  S  S114  1  0.500266  0.666448  0.611763  1
  S  S115  1  0.583333  0.791657  0.611945  1
  S  S116  1  0.666692  0.916605  0.611375  1
  S  S117  1  0.250294  0.042439  0.610693  1
  S  S118  1  0.333604  0.166997  0.611439  1
  S  S119  1  0.416873  0.291491  0.611350  1
  S  S120  1  0.500106  0.416288  0.611463  1
  S  S121  1  0.583333  0.541203  0.612069  1
  S  S122  1  0.666401  0.666448  0.611763  1
  S  S123  1  0.749422  0.791575  0.611217  1
  S  S124  1  0.833436  0.916760  0.609763  1
  S  S125  1  0.416675  0.041635  0.611074  1
  S  S126  1  0.499962  0.166498  0.611156  1
  S  S127  1  0.583333  0.291355  0.611528  1
  S  S128  1  0.666561  0.416288  0.611463  1
  S  S129  1  0.749848  0.541187  0.611522  1
  S  S130  1  0.832721  0.666245  0.610606  1
  S  S131  1  0.915076  0.792097  0.610171  1
  S  S132  1  -0.001188  0.917905  0.609991  1
  S  S133  1  0.583333  0.041597  0.611389  1
  S  S134  1  0.666704  0.166498  0.611156  1
  S  S135  1  0.749793  0.291491  0.611350  1
  S  S136  1  0.833083  0.416341  0.611597  1
  S  S137  1  0.916195  0.541146  0.610779  1
  S  S138  1  -0.000430  0.665282  0.609976  1
  S  S139  1  0.749992  0.041635  0.611074  1
  S  S140  1  0.833063  0.166997  0.611439  1
  S  S141  1  0.916562  0.291951  0.611436  1
  S  S142  1  -0.000036  0.416887  0.611215  1
  S  S143  1  0.916372  0.042439  0.610694  1
  S  S144  1  -0.000210  0.167198  0.611329  1
