# generated using pymatgen
data_AsW48S95
_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   AsW48S95
_chemical_formula_sum   'As1 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
  As  As1  1  0.083333  0.791669  0.373185  1
  W  W2  1  -0.000240  0.749885  0.500048  1
  W  W3  1  0.083333  0.875239  0.500052  1
  W  W4  1  0.000042  0.499686  0.500211  1
  W  W5  1  0.083333  0.624557  0.500199  1
  W  W6  1  0.166907  0.749885  0.500048  1
  W  W7  1  0.250408  0.875226  0.500188  1
  W  W8  1  -0.000024  0.249787  0.499935  1
  W  W9  1  0.083333  0.374713  0.499934  1
  W  W10  1  0.166624  0.499686  0.500211  1
  W  W11  1  0.249928  0.624795  0.500662  1
  W  W12  1  0.333486  0.750190  0.500644  1
  W  W13  1  0.416846  0.875227  0.500170  1
  W  W14  1  -0.000241  0.000021  0.500666  1
  W  W15  1  0.083333  0.124820  0.500261  1
  W  W16  1  0.166690  0.249787  0.499935  1
  W  W17  1  0.249998  0.374805  0.499936  1
  W  W18  1  0.333258  0.499907  0.500110  1
  W  W19  1  0.416589  0.625090  0.500234  1
  W  W20  1  0.500020  0.750202  0.500058  1
  W  W21  1  0.583333  0.875205  0.499923  1
  W  W22  1  0.166907  0.000021  0.500666  1
  W  W23  1  0.250127  0.124920  0.500109  1
  W  W24  1  0.333380  0.249922  0.499915  1
  W  W25  1  0.416658  0.374973  0.499929  1
  W  W26  1  0.499964  0.500059  0.499949  1
  W  W27  1  0.583333  0.625136  0.499951  1
  W  W28  1  0.666647  0.750202  0.500058  1
  W  W29  1  0.749821  0.875227  0.500170  1
  W  W30  1  0.333586  0.000116  0.500196  1
  W  W31  1  0.416772  0.125075  0.499957  1
  W  W32  1  0.500026  0.250053  0.499945  1
  W  W33  1  0.583333  0.375046  0.499939  1
  W  W34  1  0.666702  0.500059  0.499949  1
  W  W35  1  0.750078  0.625090  0.500234  1
  W  W36  1  0.833180  0.750191  0.500643  1
  W  W37  1  0.916259  0.875226  0.500188  1
  W  W38  1  0.500096  0.000180  0.499923  1
  W  W39  1  0.583333  0.125132  0.499917  1
  W  W40  1  0.666641  0.250053  0.499945  1
  W  W41  1  0.750008  0.374973  0.499929  1
  W  W42  1  0.833409  0.499907  0.500110  1
  W  W43  1  0.916739  0.624795  0.500662  1
  W  W44  1  0.666571  0.000180  0.499923  1
  W  W45  1  0.749895  0.125075  0.499957  1
  W  W46  1  0.833287  0.249922  0.499915  1
  W  W47  1  0.916669  0.374805  0.499936  1
  W  W48  1  0.833080  0.000116  0.500196  1
  W  W49  1  0.916540  0.124920  0.500109  1
  S  S50  1  0.166667  0.916590  0.389678  1
  S  S51  1  0.083333  0.541393  0.389429  1
  S  S52  1  0.166590  0.666681  0.389696  1
  S  S53  1  0.249931  0.791725  0.389671  1
  S  S54  1  0.333525  0.916816  0.389380  1
  S  S55  1  0.083333  0.291408  0.389184  1
  S  S56  1  0.166654  0.416486  0.389259  1
  S  S57  1  0.249846  0.541666  0.389565  1
  S  S58  1  0.333050  0.666826  0.389915  1
  S  S59  1  0.416534  0.791820  0.389515  1
  S  S60  1  0.500020  0.916817  0.389207  1
  S  S61  1  0.083333  0.041324  0.389918  1
  S  S62  1  0.166651  0.166382  0.389372  1
  S  S63  1  0.249997  0.291492  0.389183  1
  S  S64  1  0.333287  0.416643  0.389258  1
  S  S65  1  0.416520  0.541786  0.389403  1
  S  S66  1  0.499860  0.666803  0.389385  1
  S  S67  1  0.583333  0.791797  0.389256  1
  S  S68  1  0.666647  0.916817  0.389207  1
  S  S69  1  0.250033  0.041514  0.389522  1
  S  S70  1  0.333342  0.166579  0.389226  1
  S  S71  1  0.416676  0.291653  0.389191  1
  S  S72  1  0.499977  0.416725  0.389228  1
  S  S73  1  0.583333  0.541773  0.389251  1
  S  S74  1  0.666806  0.666803  0.389385  1
  S  S75  1  0.750133  0.791820  0.389515  1
  S  S76  1  0.833142  0.916816  0.389380  1
  S  S77  1  0.416719  0.041756  0.389225  1
  S  S78  1  0.500024  0.166760  0.389166  1
  S  S79  1  0.583333  0.291731  0.389203  1
  S  S80  1  0.666689  0.416725  0.389228  1
  S  S81  1  0.750146  0.541786  0.389403  1
  S  S82  1  0.833617  0.666826  0.389915  1
  S  S83  1  0.916736  0.791725  0.389671  1
  S  S84  1  -0.000000  0.916590  0.389678  1
  S  S85  1  0.583333  0.041825  0.389123  1
  S  S86  1  0.666643  0.166760  0.389166  1
  S  S87  1  0.749991  0.291653  0.389191  1
  S  S88  1  0.833380  0.416643  0.389258  1
  S  S89  1  0.916820  0.541666  0.389565  1
  S  S90  1  0.000077  0.666681  0.389696  1
  S  S91  1  0.749948  0.041756  0.389225  1
  S  S92  1  0.833325  0.166579  0.389226  1
  S  S93  1  0.916670  0.291492  0.389183  1
  S  S94  1  0.000012  0.416486  0.389259  1
  S  S95  1  0.916633  0.041514  0.389522  1
  S  S96  1  0.000015  0.166382  0.389372  1
  S  S97  1  0.083333  0.791661  0.609310  1
  S  S98  1  0.167187  0.916635  0.611087  1
  S  S99  1  0.083333  0.541329  0.611009  1
  S  S100  1  0.166382  0.666276  0.611077  1
  S  S101  1  0.250232  0.792079  0.611074  1
  S  S102  1  0.333597  0.916841  0.611023  1
  S  S103  1  0.083333  0.291412  0.610650  1
  S  S104  1  0.166648  0.416319  0.610764  1
  S  S105  1  0.249945  0.541353  0.611073  1
  S  S106  1  0.333319  0.666701  0.611144  1
  S  S107  1  0.416909  0.791909  0.611052  1
  S  S108  1  0.500156  0.916898  0.610772  1
  S  S109  1  0.083333  0.041583  0.611193  1
  S  S110  1  0.166731  0.166544  0.610814  1
  S  S111  1  0.250014  0.291493  0.610646  1
  S  S112  1  0.333309  0.416530  0.610696  1
  S  S113  1  0.416638  0.541658  0.610767  1
  S  S114  1  0.500032  0.666803  0.610746  1
  S  S115  1  0.583333  0.791870  0.610728  1
  S  S116  1  0.666511  0.916898  0.610772  1
  S  S117  1  0.250316  0.041751  0.611104  1
  S  S118  1  0.333436  0.166665  0.610733  1
  S  S119  1  0.416667  0.291657  0.610658  1
  S  S120  1  0.499980  0.416707  0.610637  1
  S  S121  1  0.583333  0.541757  0.610605  1
  S  S122  1  0.666635  0.666803  0.610746  1
  S  S123  1  0.749758  0.791909  0.611052  1
  S  S124  1  0.833069  0.916841  0.611023  1
  S  S125  1  0.416887  0.041818  0.610799  1
  S  S126  1  0.500045  0.166761  0.610703  1
  S  S127  1  0.583333  0.291733  0.610687  1
  S  S128  1  0.666686  0.416707  0.610637  1
  S  S129  1  0.750029  0.541658  0.610767  1
  S  S130  1  0.833347  0.666701  0.611144  1
  S  S131  1  0.916435  0.792079  0.611074  1
  S  S132  1  -0.000520  0.916635  0.611087  1
  S  S133  1  0.583333  0.041841  0.610697  1
  S  S134  1  0.666622  0.166761  0.610703  1
  S  S135  1  0.750000  0.291657  0.610658  1
  S  S136  1  0.833358  0.416530  0.610696  1
  S  S137  1  0.916722  0.541353  0.611073  1
  S  S138  1  0.000284  0.666276  0.611077  1
  S  S139  1  0.749779  0.041818  0.610799  1
  S  S140  1  0.833230  0.166665  0.610733  1
  S  S141  1  0.916653  0.291493  0.610646  1
  S  S142  1  0.000018  0.416319  0.610764  1
  S  S143  1  0.916351  0.041751  0.611104  1
  S  S144  1  -0.000064  0.166544  0.610814  1
