# generated using pymatgen
data_AgW48S95
_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   AgW48S95
_chemical_formula_sum   'Ag1 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
  Ag  Ag1  1  0.083333  0.791667  0.349722  1
  W  W2  1  0.000973  0.750500  0.503835  1
  W  W3  1  0.083333  0.874044  0.503809  1
  W  W4  1  -0.000020  0.500579  0.500215  1
  W  W5  1  0.083333  0.626610  0.501735  1
  W  W6  1  0.165693  0.750500  0.503835  1
  W  W7  1  0.248450  0.874204  0.501713  1
  W  W8  1  0.000043  0.250125  0.499872  1
  W  W9  1  0.083333  0.375387  0.500024  1
  W  W10  1  0.166687  0.500579  0.500215  1
  W  W11  1  0.249734  0.625536  0.500097  1
  W  W12  1  0.332738  0.749943  0.500085  1
  W  W13  1  0.416273  0.874658  0.500175  1
  W  W14  1  0.000375  -0.000432  0.500093  1
  W  W15  1  0.083333  0.124967  0.499771  1
  W  W16  1  0.166623  0.250125  0.499872  1
  W  W17  1  0.249912  0.375277  0.499913  1
  W  W18  1  0.333192  0.500335  0.499817  1
  W  W19  1  0.416581  0.625064  0.499767  1
  W  W20  1  0.499788  0.749897  0.499737  1
  W  W21  1  0.583333  0.874789  0.499860  1
  W  W22  1  0.166292  -0.000432  0.500093  1
  W  W23  1  0.249745  0.124794  0.499811  1
  W  W24  1  0.333192  0.249995  0.499884  1
  W  W25  1  0.416579  0.375101  0.499914  1
  W  W26  1  0.499958  0.500067  0.499880  1
  W  W27  1  0.583333  0.625020  0.499790  1
  W  W28  1  0.666879  0.749897  0.499737  1
  W  W29  1  0.750394  0.874658  0.500175  1
  W  W30  1  0.332821  -0.000284  0.500208  1
  W  W31  1  0.416470  0.124789  0.499924  1
  W  W32  1  0.499930  0.249906  0.499946  1
  W  W33  1  0.583333  0.375002  0.499963  1
  W  W34  1  0.666708  0.500067  0.499880  1
  W  W35  1  0.750086  0.625064  0.499767  1
  W  W36  1  0.833928  0.749943  0.500085  1
  W  W37  1  0.918216  0.874204  0.501713  1
  W  W38  1  0.499800  -0.000291  0.500011  1
  W  W39  1  0.583333  0.124787  0.499943  1
  W  W40  1  0.666736  0.249906  0.499946  1
  W  W41  1  0.750088  0.375101  0.499914  1
  W  W42  1  0.833475  0.500335  0.499817  1
  W  W43  1  0.916932  0.625536  0.500097  1
  W  W44  1  0.666866  -0.000291  0.500011  1
  W  W45  1  0.750197  0.124789  0.499924  1
  W  W46  1  0.833474  0.249995  0.499884  1
  W  W47  1  0.916754  0.375277  0.499913  1
  W  W48  1  0.833845  -0.000284  0.500208  1
  W  W49  1  0.916922  0.124794  0.499811  1
  S  S50  1  0.165546  0.914676  0.390775  1
  S  S51  1  0.083333  0.542979  0.390281  1
  S  S52  1  0.165233  0.668540  0.390778  1
  S  S53  1  0.247449  0.791809  0.390784  1
  S  S54  1  0.332124  0.915991  0.390289  1
  S  S55  1  0.083333  0.291960  0.389229  1
  S  S56  1  0.166569  0.417211  0.389349  1
  S  S57  1  0.249686  0.542219  0.389232  1
  S  S58  1  0.333135  0.666783  0.389120  1
  S  S59  1  0.416091  0.791589  0.389212  1
  S  S60  1  0.499649  0.916379  0.389312  1
  S  S61  1  0.083333  0.041498  0.389130  1
  S  S62  1  0.166622  0.166699  0.389074  1
  S  S63  1  0.249932  0.291844  0.389183  1
  S  S64  1  0.333245  0.416897  0.389184  1
  S  S65  1  0.416602  0.541750  0.389043  1
  S  S66  1  0.499937  0.666645  0.388968  1
  S  S67  1  0.583333  0.791536  0.389062  1
  S  S68  1  0.667018  0.916379  0.389312  1
  S  S69  1  0.249644  0.041188  0.389258  1
  S  S70  1  0.333161  0.166526  0.389206  1
  S  S71  1  0.416596  0.291665  0.389268  1
  S  S72  1  0.499981  0.416678  0.389233  1
  S  S73  1  0.583333  0.541668  0.389116  1
  S  S74  1  0.666730  0.666645  0.388968  1
  S  S75  1  0.750576  0.791589  0.389212  1
  S  S76  1  0.834542  0.915991  0.390289  1
  S  S77  1  0.416287  0.041283  0.389386  1
  S  S78  1  0.499908  0.166478  0.389289  1
  S  S79  1  0.583333  0.291588  0.389319  1
  S  S80  1  0.666686  0.416678  0.389233  1
  S  S81  1  0.750065  0.541750  0.389043  1
  S  S82  1  0.833531  0.666783  0.389120  1
  S  S83  1  0.919217  0.791809  0.390784  1
  S  S84  1  0.001120  0.914676  0.390775  1
  S  S85  1  0.583333  0.041357  0.389341  1
  S  S86  1  0.666759  0.166478  0.389289  1
  S  S87  1  0.750070  0.291665  0.389268  1
  S  S88  1  0.833422  0.416897  0.389184  1
  S  S89  1  0.916981  0.542219  0.389232  1
  S  S90  1  0.001433  0.668540  0.390778  1
  S  S91  1  0.750379  0.041283  0.389386  1
  S  S92  1  0.833506  0.166526  0.389206  1
  S  S93  1  0.916734  0.291844  0.389183  1
  S  S94  1  0.000098  0.417211  0.389349  1
  S  S95  1  0.917023  0.041188  0.389258  1
  S  S96  1  0.000045  0.166700  0.389074  1
  S  S97  1  0.083333  0.791689  0.614062  1
  S  S98  1  0.165711  0.916842  0.613070  1
  S  S99  1  0.083333  0.542141  0.611100  1
  S  S100  1  0.167313  0.667328  0.613087  1
  S  S101  1  0.249707  0.790851  0.613075  1
  S  S102  1  0.332963  0.916395  0.611063  1
  S  S103  1  0.083333  0.291871  0.610597  1
  S  S104  1  0.166681  0.417024  0.610756  1
  S  S105  1  0.250092  0.542122  0.610821  1
  S  S106  1  0.333318  0.666700  0.610695  1
  S  S107  1  0.416424  0.791334  0.610749  1
  S  S108  1  0.499900  0.916365  0.610685  1
  S  S109  1  0.083333  0.041665  0.610678  1
  S  S110  1  0.166580  0.166683  0.610557  1
  S  S111  1  0.249931  0.291821  0.610582  1
  S  S112  1  0.333263  0.416929  0.610570  1
  S  S113  1  0.416612  0.541796  0.610603  1
  S  S114  1  0.499951  0.666646  0.610548  1
  S  S115  1  0.583333  0.791458  0.610436  1
  S  S116  1  0.666766  0.916365  0.610685  1
  S  S117  1  0.249546  0.041534  0.610785  1
  S  S118  1  0.333104  0.166541  0.610529  1
  S  S119  1  0.416554  0.291668  0.610601  1
  S  S120  1  0.499950  0.416719  0.610654  1
  S  S121  1  0.583333  0.541725  0.610609  1
  S  S122  1  0.666716  0.666646  0.610548  1
  S  S123  1  0.750243  0.791334  0.610749  1
  S  S124  1  0.833704  0.916395  0.611063  1
  S  S125  1  0.416421  0.041436  0.610712  1
  S  S126  1  0.499900  0.166476  0.610602  1
  S  S127  1  0.583333  0.291584  0.610653  1
  S  S128  1  0.666717  0.416719  0.610654  1
  S  S129  1  0.750054  0.541796  0.610603  1
  S  S130  1  0.833349  0.666700  0.610695  1
  S  S131  1  0.916960  0.790851  0.613075  1
  S  S132  1  0.000955  0.916842  0.613070  1
  S  S133  1  0.583333  0.041396  0.610597  1
  S  S134  1  0.666766  0.166476  0.610602  1
  S  S135  1  0.750112  0.291668  0.610601  1
  S  S136  1  0.833404  0.416929  0.610570  1
  S  S137  1  0.916574  0.542122  0.610821  1
  S  S138  1  -0.000646  0.667328  0.613087  1
  S  S139  1  0.750245  0.041436  0.610712  1
  S  S140  1  0.833563  0.166541  0.610529  1
  S  S141  1  0.916735  0.291821  0.610582  1
  S  S142  1  -0.000014  0.417024  0.610756  1
  S  S143  1  0.917121  0.041534  0.610785  1
  S  S144  1  0.000086  0.166683  0.610557  1
