# generated using pymatgen
data_GeW47S96
_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   GeW47S96
_chemical_formula_sum   'Ge1 W47 S96'
_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  0.000001  0.749849  0.500002  1
  W  W2  1  0.086473  0.877601  0.500007  1
  W  W3  1  0.000000  0.497232  0.499991  1
  W  W4  1  0.084309  0.620928  0.499997  1
  W  W5  1  0.170923  0.751044  0.500007  1
  W  W6  1  0.252561  0.876511  0.500013  1
  W  W7  1  -0.000000  0.249010  0.500004  1
  W  W8  1  0.083138  0.373526  0.499998  1
  W  W9  1  0.166162  0.498090  0.499999  1
  W  W10  1  0.249362  0.625214  0.500007  1
  W  W11  1  0.334554  0.751446  0.500010  1
  W  W12  1  0.417441  0.876366  0.500012  1
  W  W13  1  -0.000000  -0.000593  0.500002  1
  W  W14  1  0.084037  0.124788  0.500006  1
  W  W15  1  0.167540  0.249117  0.500001  1
  W  W16  1  0.250786  0.374242  0.499997  1
  W  W17  1  0.333173  0.499357  0.499997  1
  W  W18  1  0.416787  0.625512  0.499999  1
  W  W19  1  0.500001  0.750297  0.500004  1
  W  W20  1  0.582557  0.876366  0.500008  1
  W  W21  1  0.168507  0.000435  0.500007  1
  W  W22  1  0.249908  0.124604  0.500006  1
  W  W23  1  0.334141  0.249817  0.499999  1
  W  W24  1  0.416282  0.376691  0.499992  1
  W  W25  1  0.500001  0.500684  0.499990  1
  W  W26  1  0.583216  0.625513  0.499997  1
  W  W27  1  0.665448  0.751447  0.500008  1
  W  W28  1  0.747440  0.876512  0.500008  1
  W  W29  1  0.333237  0.000388  0.500013  1
  W  W30  1  0.423210  0.129510  0.500003  1
  W  W31  1  0.500000  0.241810  0.499996  1
  W  W32  1  0.583717  0.376691  0.499993  1
  W  W33  1  0.666828  0.499357  0.499994  1
  W  W34  1  0.750640  0.625214  0.500002  1
  W  W35  1  0.829079  0.751045  0.500005  1
  W  W36  1  0.913528  0.877602  0.500005  1
  W  W37  1  0.499999  0.001252  0.500011  1
  W  W38  1  0.576787  0.129510  0.500004  1
  W  W39  1  0.665856  0.249818  0.500001  1
  W  W40  1  0.749215  0.374243  0.499997  1
  W  W41  1  0.833838  0.498090  0.499993  1
  W  W42  1  0.915693  0.620929  0.499997  1
  W  W43  1  0.666761  0.000389  0.500010  1
  W  W44  1  0.750090  0.124604  0.500005  1
  W  W45  1  0.832460  0.249115  0.500004  1
  W  W46  1  0.916862  0.373527  0.499997  1
  W  W47  1  0.831493  0.000435  0.500004  1
  W  W48  1  0.915961  0.124789  0.500005  1
  S  S49  1  0.089652  0.794760  0.387702  1
  S  S50  1  0.169167  0.917892  0.388498  1
  S  S51  1  0.083214  0.538730  0.388469  1
  S  S52  1  0.165745  0.666952  0.390450  1
  S  S53  1  0.252444  0.793302  0.388573  1
  S  S54  1  0.335030  0.917900  0.388045  1
  S  S55  1  0.083640  0.290376  0.389326  1
  S  S56  1  0.166822  0.415052  0.389278  1
  S  S57  1  0.249589  0.541383  0.389832  1
  S  S58  1  0.333070  0.667198  0.389787  1
  S  S59  1  0.417494  0.792711  0.389176  1
  S  S60  1  0.500000  0.918294  0.388874  1
  S  S61  1  0.083677  0.041200  0.389585  1
  S  S62  1  0.167214  0.166300  0.388766  1
  S  S63  1  0.251001  0.290954  0.389124  1
  S  S64  1  0.333104  0.416520  0.388259  1
  S  S65  1  0.416460  0.542079  0.389339  1
  S  S66  1  0.500001  0.666956  0.389119  1
  S  S67  1  0.582509  0.792711  0.389176  1
  S  S68  1  0.664970  0.917901  0.388046  1
  S  S69  1  0.250869  0.042123  0.388833  1
  S  S70  1  0.334490  0.166514  0.389400  1
  S  S71  1  0.418513  0.291562  0.390410  1
  S  S72  1  0.500001  0.417400  0.389701  1
  S  S73  1  0.583542  0.542080  0.389339  1
  S  S74  1  0.666933  0.667200  0.389790  1
  S  S75  1  0.747558  0.793303  0.388573  1
  S  S76  1  0.830832  0.917895  0.388501  1
  S  S77  1  0.416995  0.043897  0.390215  1
  S  S78  1  0.500000  0.166337  0.376210  1
  S  S79  1  0.581487  0.291562  0.390410  1
  S  S80  1  0.666897  0.416520  0.388261  1
  S  S81  1  0.750412  0.541383  0.389837  1
  S  S82  1  0.834256  0.666953  0.390450  1
  S  S83  1  0.910349  0.794761  0.387702  1
  S  S84  1  0.000000  0.915884  0.390379  1
  S  S85  1  0.583003  0.043896  0.390218  1
  S  S86  1  0.665509  0.166513  0.389407  1
  S  S87  1  0.749000  0.290954  0.389132  1
  S  S88  1  0.833178  0.415054  0.389281  1
  S  S89  1  0.916786  0.538731  0.388473  1
  S  S90  1  0.000003  0.660054  0.387607  1
  S  S91  1  0.749129  0.042123  0.388841  1
  S  S92  1  0.832784  0.166299  0.388771  1
  S  S93  1  0.916358  0.290376  0.389331  1
  S  S94  1  -0.000001  0.414504  0.388529  1
  S  S95  1  0.916320  0.041200  0.389587  1
  S  S96  1  -0.000002  0.165803  0.389457  1
  S  S97  1  0.089652  0.794758  0.612297  1
  S  S98  1  0.169167  0.917894  0.611502  1
  S  S99  1  0.083215  0.538731  0.611516  1
  S  S100  1  0.165744  0.666951  0.609541  1
  S  S101  1  0.252439  0.793301  0.611428  1
  S  S102  1  0.335027  0.917901  0.611963  1
  S  S103  1  0.083641  0.290377  0.610663  1
  S  S104  1  0.166822  0.415054  0.610710  1
  S  S105  1  0.249589  0.541380  0.610153  1
  S  S106  1  0.333067  0.667196  0.610212  1
  S  S107  1  0.417491  0.792710  0.610838  1
  S  S108  1  0.499998  0.918298  0.611132  1
  S  S109  1  0.083679  0.041200  0.610421  1
  S  S110  1  0.167217  0.166303  0.611229  1
  S  S111  1  0.251001  0.290956  0.610859  1
  S  S112  1  0.333106  0.416521  0.611727  1
  S  S113  1  0.416459  0.542075  0.610653  1
  S  S114  1  0.500001  0.666952  0.610890  1
  S  S115  1  0.582511  0.792710  0.610840  1
  S  S116  1  0.664973  0.917901  0.611966  1
  S  S117  1  0.250868  0.042124  0.611163  1
  S  S118  1  0.334489  0.166517  0.610588  1
  S  S119  1  0.418512  0.291564  0.609576  1
  S  S120  1  0.500000  0.417397  0.610285  1
  S  S121  1  0.583542  0.542075  0.610654  1
  S  S122  1  0.666936  0.667196  0.610213  1
  S  S123  1  0.747563  0.793301  0.611429  1
  S  S124  1  0.830834  0.917893  0.611505  1
  S  S125  1  0.416995  0.043899  0.609786  1
  S  S126  1  0.499999  0.166340  0.623783  1
  S  S127  1  0.581487  0.291564  0.609578  1
  S  S128  1  0.666895  0.416521  0.611726  1
  S  S129  1  0.750411  0.541382  0.610154  1
  S  S130  1  0.834256  0.666952  0.609544  1
  S  S131  1  0.910351  0.794759  0.612298  1
  S  S132  1  -0.000000  0.915884  0.609630  1
  S  S133  1  0.583002  0.043897  0.609787  1
  S  S134  1  0.665507  0.166517  0.610593  1
  S  S135  1  0.748997  0.290956  0.610864  1
  S  S136  1  0.833177  0.415053  0.610715  1
  S  S137  1  0.916787  0.538730  0.611519  1
  S  S138  1  0.000002  0.660053  0.612388  1
  S  S139  1  0.749130  0.042124  0.611169  1
  S  S140  1  0.832783  0.166302  0.611235  1
  S  S141  1  0.916358  0.290377  0.610667  1
  S  S142  1  0.000001  0.414507  0.611463  1
  S  S143  1  0.916321  0.041200  0.610424  1
  S  S144  1  -0.000000  0.165804  0.610546  1
