# 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  -0.000000  0.749489  0.500000  1
  W  W2  1  0.086331  0.877522  0.500007  1
  W  W3  1  -0.000000  0.496947  0.500005  1
  W  W4  1  0.084502  0.620765  0.500004  1
  W  W5  1  0.170980  0.750729  0.500005  1
  W  W6  1  0.252816  0.876504  0.500008  1
  W  W7  1  -0.000000  0.248902  0.500009  1
  W  W8  1  0.082863  0.373730  0.500009  1
  W  W9  1  0.166103  0.498099  0.500008  1
  W  W10  1  0.249112  0.625212  0.500005  1
  W  W11  1  0.334538  0.751470  0.500002  1
  W  W12  1  0.417238  0.876535  0.500000  1
  W  W13  1  0.000000  -0.000883  0.500010  1
  W  W14  1  0.084643  0.124763  0.500012  1
  W  W15  1  0.167782  0.248862  0.500010  1
  W  W16  1  0.251078  0.374351  0.500007  1
  W  W17  1  0.332733  0.499118  0.500005  1
  W  W18  1  0.416895  0.625664  0.500000  1
  W  W19  1  0.500000  0.750172  0.499994  1
  W  W20  1  0.582763  0.876535  0.499994  1
  W  W21  1  0.168375  0.000327  0.500015  1
  W  W22  1  0.249114  0.124740  0.500009  1
  W  W23  1  0.333894  0.249905  0.500006  1
  W  W24  1  0.415125  0.376865  0.500002  1
  W  W25  1  0.500000  0.500602  0.500000  1
  W  W26  1  0.583105  0.625664  0.499995  1
  W  W27  1  0.665463  0.751470  0.499991  1
  W  W28  1  0.747184  0.876504  0.499993  1
  W  W29  1  0.332819  -0.000096  0.500006  1
  W  W30  1  0.423611  0.130762  0.500001  1
  W  W31  1  0.500000  0.241511  0.500000  1
  W  W32  1  0.584875  0.376865  0.500001  1
  W  W33  1  0.667267  0.499118  0.499999  1
  W  W34  1  0.750888  0.625212  0.499996  1
  W  W35  1  0.829020  0.750729  0.499996  1
  W  W36  1  0.913669  0.877522  0.499999  1
  W  W37  1  0.500000  0.001740  0.499998  1
  W  W38  1  0.576389  0.130762  0.499999  1
  W  W39  1  0.666106  0.249905  0.500002  1
  W  W40  1  0.748922  0.374351  0.500002  1
  W  W41  1  0.833897  0.498099  0.500002  1
  W  W42  1  0.915498  0.620765  0.500002  1
  W  W43  1  0.667181  -0.000096  0.499996  1
  W  W44  1  0.750887  0.124741  0.500001  1
  W  W45  1  0.832218  0.248863  0.500005  1
  W  W46  1  0.917136  0.373730  0.500007  1
  W  W47  1  0.831625  0.000327  0.500000  1
  W  W48  1  0.915357  0.124763  0.500007  1
  S  S49  1  0.089775  0.794621  0.387646  1
  S  S50  1  0.169133  0.917727  0.388557  1
  S  S51  1  0.083164  0.538607  0.388423  1
  S  S52  1  0.165707  0.666825  0.390211  1
  S  S53  1  0.252398  0.793212  0.388603  1
  S  S54  1  0.335040  0.917785  0.387651  1
  S  S55  1  0.083754  0.290354  0.389593  1
  S  S56  1  0.166800  0.414945  0.389332  1
  S  S57  1  0.249434  0.541384  0.389757  1
  S  S58  1  0.333008  0.667159  0.389823  1
  S  S59  1  0.417552  0.792822  0.389255  1
  S  S60  1  0.500000  0.918677  0.389067  1
  S  S61  1  0.083606  0.041091  0.389581  1
  S  S62  1  0.167151  0.166389  0.388169  1
  S  S63  1  0.250944  0.290979  0.388952  1
  S  S64  1  0.332736  0.416684  0.387625  1
  S  S65  1  0.416278  0.542018  0.389579  1
  S  S66  1  0.500000  0.666949  0.388993  1
  S  S67  1  0.582449  0.792822  0.389258  1
  S  S68  1  0.664960  0.917785  0.387657  1
  S  S69  1  0.250718  0.042124  0.388940  1
  S  S70  1  0.334091  0.166509  0.389498  1
  S  S71  1  0.418477  0.291828  0.390556  1
  S  S72  1  0.500000  0.417020  0.390255  1
  S  S73  1  0.583722  0.542018  0.389581  1
  S  S74  1  0.666992  0.667159  0.389827  1
  S  S75  1  0.747602  0.793212  0.388609  1
  S  S76  1  0.830867  0.917727  0.388564  1
  S  S77  1  0.416527  0.044531  0.390902  1
  S  S78  1  0.500000  0.166835  0.375030  1
  S  S79  1  0.581523  0.291828  0.390557  1
  S  S80  1  0.667264  0.416684  0.387627  1
  S  S81  1  0.750566  0.541385  0.389759  1
  S  S82  1  0.834292  0.666825  0.390215  1
  S  S83  1  0.910225  0.794621  0.387649  1
  S  S84  1  -0.000001  0.915724  0.390218  1
  S  S85  1  0.583474  0.044531  0.390904  1
  S  S86  1  0.665909  0.166509  0.389500  1
  S  S87  1  0.749056  0.290979  0.388954  1
  S  S88  1  0.833200  0.414945  0.389335  1
  S  S89  1  0.916836  0.538607  0.388425  1
  S  S90  1  -0.000000  0.659594  0.387417  1
  S  S91  1  0.749283  0.042123  0.388947  1
  S  S92  1  0.832848  0.166389  0.388172  1
  S  S93  1  0.916246  0.290354  0.389594  1
  S  S94  1  -0.000000  0.414463  0.388212  1
  S  S95  1  0.916394  0.041091  0.389584  1
  S  S96  1  -0.000000  0.165497  0.389759  1
  S  S97  1  0.089775  0.794621  0.612350  1
  S  S98  1  0.169132  0.917728  0.611432  1
  S  S99  1  0.083165  0.538607  0.611571  1
  S  S100  1  0.165707  0.666825  0.609784  1
  S  S101  1  0.252398  0.793213  0.611392  1
  S  S102  1  0.335039  0.917785  0.612344  1
  S  S103  1  0.083754  0.290354  0.610397  1
  S  S104  1  0.166800  0.414945  0.610658  1
  S  S105  1  0.249433  0.541384  0.610239  1
  S  S106  1  0.333007  0.667158  0.610174  1
  S  S107  1  0.417551  0.792822  0.610747  1
  S  S108  1  0.500000  0.918677  0.610936  1
  S  S109  1  0.083606  0.041091  0.610412  1
  S  S110  1  0.167151  0.166389  0.611820  1
  S  S111  1  0.250944  0.290979  0.611039  1
  S  S112  1  0.332736  0.416684  0.612370  1
  S  S113  1  0.416278  0.542018  0.610419  1
  S  S114  1  0.500000  0.666948  0.611011  1
  S  S115  1  0.582448  0.792822  0.610750  1
  S  S116  1  0.664960  0.917785  0.612349  1
  S  S117  1  0.250716  0.042124  0.611048  1
  S  S118  1  0.334090  0.166509  0.610497  1
  S  S119  1  0.418476  0.291827  0.609441  1
  S  S120  1  0.500000  0.417020  0.609744  1
  S  S121  1  0.583722  0.542017  0.610421  1
  S  S122  1  0.666992  0.667158  0.610179  1
  S  S123  1  0.747602  0.793213  0.611398  1
  S  S124  1  0.830868  0.917728  0.611438  1
  S  S125  1  0.416526  0.044531  0.609096  1
  S  S126  1  0.500000  0.166835  0.624970  1
  S  S127  1  0.581524  0.291827  0.609442  1
  S  S128  1  0.667264  0.416684  0.612372  1
  S  S129  1  0.750567  0.541384  0.610242  1
  S  S130  1  0.834293  0.666825  0.609787  1
  S  S131  1  0.910225  0.794621  0.612352  1
  S  S132  1  0.000001  0.915725  0.609776  1
  S  S133  1  0.583474  0.044531  0.609098  1
  S  S134  1  0.665909  0.166509  0.610499  1
  S  S135  1  0.749056  0.290979  0.611042  1
  S  S136  1  0.833200  0.414945  0.610661  1
  S  S137  1  0.916835  0.538607  0.611573  1
  S  S138  1  0.000000  0.659593  0.612581  1
  S  S139  1  0.749283  0.042124  0.611055  1
  S  S140  1  0.832849  0.166389  0.611823  1
  S  S141  1  0.916246  0.290354  0.610398  1
  S  S142  1  0.000000  0.414462  0.611782  1
  S  S143  1  0.916396  0.041091  0.610413  1
  S  S144  1  0.000000  0.165497  0.610231  1
