# generated using pymatgen
data_AsW47S96
_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   AsW47S96
_chemical_formula_sum   'As1 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
  As  As1  1  0.000000  0.750129  0.500000  1
  W  W2  1  0.085177  0.877337  0.499999  1
  W  W3  1  0.000000  0.497760  0.500002  1
  W  W4  1  0.084841  0.621839  0.500002  1
  W  W5  1  0.170274  0.750094  0.500000  1
  W  W6  1  0.252025  0.876139  0.500001  1
  W  W7  1  0.000000  0.249300  0.500003  1
  W  W8  1  0.082996  0.374277  0.500002  1
  W  W9  1  0.166359  0.498761  0.500001  1
  W  W10  1  0.249319  0.625216  0.500000  1
  W  W11  1  0.334065  0.751102  0.500002  1
  W  W12  1  0.416832  0.876100  0.500002  1
  W  W13  1  -0.000001  -0.000607  0.499996  1
  W  W14  1  0.084546  0.124868  0.500000  1
  W  W15  1  0.167777  0.249028  0.500004  1
  W  W16  1  0.251049  0.374425  0.500001  1
  W  W17  1  0.332777  0.498996  0.499999  1
  W  W18  1  0.416947  0.625871  0.500000  1
  W  W19  1  0.500000  0.750151  0.500002  1
  W  W20  1  0.583168  0.876100  0.500002  1
  W  W21  1  0.167725  0.000162  0.499998  1
  W  W22  1  0.249363  0.124586  0.500001  1
  W  W23  1  0.333940  0.249789  0.500003  1
  W  W24  1  0.415571  0.376657  0.500000  1
  W  W25  1  0.500000  0.500567  0.499999  1
  W  W26  1  0.583054  0.625871  0.499999  1
  W  W27  1  0.665936  0.751102  0.500000  1
  W  W28  1  0.747975  0.876139  0.500000  1
  W  W29  1  0.332549  -0.000277  0.500002  1
  W  W30  1  0.423390  0.130174  0.500001  1
  W  W31  1  0.500000  0.241455  0.500001  1
  W  W32  1  0.584429  0.376657  0.500000  1
  W  W33  1  0.667223  0.498996  0.499998  1
  W  W34  1  0.750681  0.625216  0.500000  1
  W  W35  1  0.829726  0.750094  0.500000  1
  W  W36  1  0.914823  0.877337  0.499999  1
  W  W37  1  0.500000  0.001351  0.500003  1
  W  W38  1  0.576610  0.130174  0.500001  1
  W  W39  1  0.666060  0.249788  0.500002  1
  W  W40  1  0.748951  0.374426  0.500000  1
  W  W41  1  0.833641  0.498761  0.500001  1
  W  W42  1  0.915159  0.621839  0.500001  1
  W  W43  1  0.667451  -0.000277  0.500001  1
  W  W44  1  0.750636  0.124585  0.499999  1
  W  W45  1  0.832223  0.249027  0.500001  1
  W  W46  1  0.917005  0.374277  0.500001  1
  W  W47  1  0.832274  0.000162  0.499998  1
  W  W48  1  0.915454  0.124868  0.499999  1
  S  S49  1  0.088410  0.793968  0.387085  1
  S  S50  1  0.168249  0.917395  0.388741  1
  S  S51  1  0.083309  0.539504  0.388667  1
  S  S52  1  0.166163  0.666685  0.389794  1
  S  S53  1  0.251677  0.792796  0.388717  1
  S  S54  1  0.334465  0.917444  0.388073  1
  S  S55  1  0.083804  0.290775  0.389713  1
  S  S56  1  0.166921  0.415451  0.389461  1
  S  S57  1  0.249755  0.541456  0.389659  1
  S  S58  1  0.333079  0.667073  0.389679  1
  S  S59  1  0.417214  0.792510  0.389279  1
  S  S60  1  0.500000  0.918135  0.389378  1
  S  S61  1  0.083504  0.041338  0.389491  1
  S  S62  1  0.167248  0.166405  0.388477  1
  S  S63  1  0.250973  0.291042  0.389074  1
  S  S64  1  0.332945  0.416489  0.387881  1
  S  S65  1  0.416280  0.542079  0.389775  1
  S  S66  1  0.500000  0.667067  0.389005  1
  S  S67  1  0.582786  0.792510  0.389279  1
  S  S68  1  0.665535  0.917444  0.388073  1
  S  S69  1  0.250329  0.041889  0.389056  1
  S  S70  1  0.334187  0.166402  0.389505  1
  S  S71  1  0.418458  0.291572  0.390510  1
  S  S72  1  0.500000  0.417082  0.390132  1
  S  S73  1  0.583720  0.542079  0.389775  1
  S  S74  1  0.666921  0.667073  0.389678  1
  S  S75  1  0.748324  0.792796  0.388716  1
  S  S76  1  0.831751  0.917395  0.388741  1
  S  S77  1  0.416516  0.044038  0.390827  1
  S  S78  1  0.500000  0.166447  0.375538  1
  S  S79  1  0.581542  0.291573  0.390511  1
  S  S80  1  0.667055  0.416488  0.387883  1
  S  S81  1  0.750245  0.541455  0.389660  1
  S  S82  1  0.833837  0.666685  0.389795  1
  S  S83  1  0.911590  0.793969  0.387085  1
  S  S84  1  -0.000000  0.916250  0.389753  1
  S  S85  1  0.583484  0.044038  0.390827  1
  S  S86  1  0.665812  0.166402  0.389505  1
  S  S87  1  0.749026  0.291043  0.389077  1
  S  S88  1  0.833079  0.415450  0.389463  1
  S  S89  1  0.916691  0.539503  0.388666  1
  S  S90  1  0.000000  0.661188  0.387122  1
  S  S91  1  0.749670  0.041889  0.389055  1
  S  S92  1  0.832752  0.166405  0.388477  1
  S  S93  1  0.916196  0.290775  0.389714  1
  S  S94  1  -0.000000  0.415159  0.388675  1
  S  S95  1  0.916495  0.041338  0.389490  1
  S  S96  1  -0.000000  0.165873  0.389903  1
  S  S97  1  0.088410  0.793969  0.612915  1
  S  S98  1  0.168248  0.917396  0.611258  1
  S  S99  1  0.083311  0.539504  0.611335  1
  S  S100  1  0.166164  0.666685  0.610206  1
  S  S101  1  0.251677  0.792796  0.611283  1
  S  S102  1  0.334465  0.917444  0.611924  1
  S  S103  1  0.083805  0.290775  0.610291  1
  S  S104  1  0.166924  0.415452  0.610537  1
  S  S105  1  0.249757  0.541455  0.610338  1
  S  S106  1  0.333078  0.667073  0.610322  1
  S  S107  1  0.417215  0.792511  0.610722  1
  S  S108  1  0.500000  0.918136  0.610616  1
  S  S109  1  0.083505  0.041337  0.610508  1
  S  S110  1  0.167248  0.166404  0.611522  1
  S  S111  1  0.250975  0.291043  0.610925  1
  S  S112  1  0.332945  0.416488  0.612114  1
  S  S113  1  0.416280  0.542078  0.610225  1
  S  S114  1  0.500000  0.667066  0.610997  1
  S  S115  1  0.582786  0.792511  0.610721  1
  S  S116  1  0.665535  0.917444  0.611924  1
  S  S117  1  0.250329  0.041889  0.610942  1
  S  S118  1  0.334187  0.166402  0.610493  1
  S  S119  1  0.418457  0.291573  0.609488  1
  S  S120  1  0.500000  0.417082  0.609866  1
  S  S121  1  0.583721  0.542078  0.610225  1
  S  S122  1  0.666922  0.667073  0.610321  1
  S  S123  1  0.748324  0.792796  0.611283  1
  S  S124  1  0.831751  0.917396  0.611258  1
  S  S125  1  0.416516  0.044037  0.609169  1
  S  S126  1  0.500000  0.166447  0.624460  1
  S  S127  1  0.581542  0.291573  0.609489  1
  S  S128  1  0.667055  0.416488  0.612115  1
  S  S129  1  0.750244  0.541454  0.610338  1
  S  S130  1  0.833837  0.666685  0.610206  1
  S  S131  1  0.911590  0.793969  0.612915  1
  S  S132  1  -0.000000  0.916251  0.610248  1
  S  S133  1  0.583483  0.044037  0.609170  1
  S  S134  1  0.665813  0.166402  0.610493  1
  S  S135  1  0.749025  0.291044  0.610925  1
  S  S136  1  0.833077  0.415451  0.610539  1
  S  S137  1  0.916689  0.539504  0.611335  1
  S  S138  1  -0.000000  0.661189  0.612879  1
  S  S139  1  0.749671  0.041889  0.610943  1
  S  S140  1  0.832751  0.166404  0.611522  1
  S  S141  1  0.916195  0.290775  0.610291  1
  S  S142  1  0.000000  0.415159  0.611329  1
  S  S143  1  0.916494  0.041338  0.610509  1
  S  S144  1  -0.000000  0.165871  0.610101  1
