# 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  0.791771  0.372309  1
  W  W2  1  0.000130  0.749878  0.500476  1
  W  W3  1  0.083333  0.875041  0.500315  1
  W  W4  1  -0.000019  0.499791  0.500124  1
  W  W5  1  0.083333  0.624898  0.500425  1
  W  W6  1  0.166537  0.749878  0.500476  1
  W  W7  1  0.250163  0.875158  0.500371  1
  W  W8  1  -0.000017  0.249948  0.499956  1
  W  W9  1  0.083333  0.374912  0.499937  1
  W  W10  1  0.166685  0.499791  0.500124  1
  W  W11  1  0.250008  0.624806  0.500567  1
  W  W12  1  0.333515  0.750094  0.500538  1
  W  W13  1  0.416799  0.875093  0.500093  1
  W  W14  1  -0.000133  0.000119  0.500571  1
  W  W15  1  0.083333  0.125042  0.500186  1
  W  W16  1  0.166683  0.249948  0.499956  1
  W  W17  1  0.249992  0.374911  0.499947  1
  W  W18  1  0.333331  0.499924  0.500032  1
  W  W19  1  0.416705  0.624955  0.500170  1
  W  W20  1  0.500033  0.750084  0.499998  1
  W  W21  1  0.583333  0.875126  0.499927  1
  W  W22  1  0.166800  0.000119  0.500571  1
  W  W23  1  0.250092  0.125025  0.500039  1
  W  W24  1  0.333380  0.250006  0.499938  1
  W  W25  1  0.416689  0.374947  0.499945  1
  W  W26  1  0.499992  0.499964  0.499965  1
  W  W27  1  0.583333  0.625035  0.499958  1
  W  W28  1  0.666634  0.750084  0.499998  1
  W  W29  1  0.749867  0.875093  0.500093  1
  W  W30  1  0.333503  0.000117  0.500117  1
  W  W31  1  0.416734  0.125037  0.499954  1
  W  W32  1  0.500009  0.250012  0.499966  1
  W  W33  1  0.583333  0.374999  0.499968  1
  W  W34  1  0.666675  0.499964  0.499965  1
  W  W35  1  0.749962  0.624955  0.500169  1
  W  W36  1  0.833152  0.750094  0.500538  1
  W  W37  1  0.916504  0.875158  0.500371  1
  W  W38  1  0.500045  0.000092  0.499926  1
  W  W39  1  0.583333  0.125077  0.499958  1
  W  W40  1  0.666658  0.250012  0.499966  1
  W  W41  1  0.749978  0.374947  0.499945  1
  W  W42  1  0.833335  0.499924  0.500032  1
  W  W43  1  0.916658  0.624806  0.500567  1
  W  W44  1  0.666622  0.000092  0.499926  1
  W  W45  1  0.749933  0.125037  0.499954  1
  W  W46  1  0.833287  0.250006  0.499938  1
  W  W47  1  0.916675  0.374911  0.499947  1
  W  W48  1  0.833164  0.000117  0.500117  1
  W  W49  1  0.916575  0.125025  0.500039  1
  S  S50  1  0.166603  0.916641  0.389774  1
  S  S51  1  0.083333  0.541694  0.389507  1
  S  S52  1  0.166619  0.666722  0.389780  1
  S  S53  1  0.249793  0.791637  0.389911  1
  S  S54  1  0.333316  0.916696  0.389411  1
  S  S55  1  0.083333  0.291593  0.389169  1
  S  S56  1  0.166657  0.416584  0.389173  1
  S  S57  1  0.249923  0.541660  0.389418  1
  S  S58  1  0.333197  0.666727  0.389753  1
  S  S59  1  0.416585  0.791728  0.389364  1
  S  S60  1  0.499993  0.916755  0.389152  1
  S  S61  1  0.083333  0.041562  0.389743  1
  S  S62  1  0.166662  0.166581  0.389275  1
  S  S63  1  0.250008  0.291598  0.389163  1
  S  S64  1  0.333334  0.416632  0.389210  1
  S  S65  1  0.416635  0.541679  0.389273  1
  S  S66  1  0.499932  0.666686  0.389273  1
  S  S67  1  0.583333  0.791731  0.389174  1
  S  S68  1  0.666674  0.916755  0.389152  1
  S  S69  1  0.250004  0.041598  0.389426  1
  S  S70  1  0.333361  0.166664  0.389193  1
  S  S71  1  0.416700  0.291648  0.389159  1
  S  S72  1  0.500001  0.416644  0.389187  1
  S  S73  1  0.583333  0.541667  0.389219  1
  S  S74  1  0.666734  0.666686  0.389273  1
  S  S75  1  0.750081  0.791728  0.389364  1
  S  S76  1  0.833351  0.916696  0.389411  1
  S  S77  1  0.416710  0.041718  0.389162  1
  S  S78  1  0.500022  0.166713  0.389170  1
  S  S79  1  0.583333  0.291675  0.389213  1
  S  S80  1  0.666666  0.416644  0.389187  1
  S  S81  1  0.750031  0.541679  0.389273  1
  S  S82  1  0.833470  0.666727  0.389753  1
  S  S83  1  0.916874  0.791637  0.389911  1
  S  S84  1  0.000064  0.916641  0.389774  1
  S  S85  1  0.583333  0.041758  0.389137  1
  S  S86  1  0.666644  0.166713  0.389170  1
  S  S87  1  0.749967  0.291648  0.389159  1
  S  S88  1  0.833332  0.416632  0.389210  1
  S  S89  1  0.916743  0.541660  0.389418  1
  S  S90  1  0.000048  0.666722  0.389780  1
  S  S91  1  0.749957  0.041718  0.389162  1
  S  S92  1  0.833306  0.166664  0.389193  1
  S  S93  1  0.916658  0.291598  0.389163  1
  S  S94  1  0.000010  0.416584  0.389173  1
  S  S95  1  0.916662  0.041598  0.389426  1
  S  S96  1  0.000004  0.166581  0.389275  1
  S  S97  1  0.083333  0.791705  0.610054  1
  S  S98  1  0.167032  0.916779  0.611303  1
  S  S99  1  0.083333  0.541458  0.610935  1
  S  S100  1  0.166644  0.666307  0.611402  1
  S  S101  1  0.250216  0.791858  0.611251  1
  S  S102  1  0.333530  0.916792  0.610964  1
  S  S103  1  0.083333  0.291601  0.610703  1
  S  S104  1  0.166669  0.416483  0.610799  1
  S  S105  1  0.250003  0.541358  0.611017  1
  S  S106  1  0.333464  0.666603  0.611064  1
  S  S107  1  0.416921  0.791826  0.611000  1
  S  S108  1  0.500091  0.916790  0.610768  1
  S  S109  1  0.083333  0.041811  0.611128  1
  S  S110  1  0.166737  0.166691  0.610818  1
  S  S111  1  0.250018  0.291607  0.610713  1
  S  S112  1  0.333344  0.416575  0.610714  1
  S  S113  1  0.416698  0.541583  0.610812  1
  S  S114  1  0.500051  0.666707  0.610769  1
  S  S115  1  0.583333  0.791768  0.610706  1
  S  S116  1  0.666576  0.916790  0.610768  1
  S  S117  1  0.250272  0.041810  0.611012  1
  S  S118  1  0.333413  0.166711  0.610738  1
  S  S119  1  0.416685  0.291655  0.610742  1
  S  S120  1  0.499997  0.416637  0.610728  1
  S  S121  1  0.583333  0.541664  0.610689  1
  S  S122  1  0.666615  0.666707  0.610769  1
  S  S123  1  0.749745  0.791826  0.611000  1
  S  S124  1  0.833136  0.916792  0.610964  1
  S  S125  1  0.416813  0.041762  0.610808  1
  S  S126  1  0.500023  0.166706  0.610751  1
  S  S127  1  0.583333  0.291675  0.610740  1
  S  S128  1  0.666669  0.416637  0.610728  1
  S  S129  1  0.749968  0.541583  0.610812  1
  S  S130  1  0.833202  0.666603  0.611064  1
  S  S131  1  0.916451  0.791858  0.611251  1
  S  S132  1  -0.000365  0.916779  0.611303  1
  S  S133  1  0.583333  0.041748  0.610715  1
  S  S134  1  0.666643  0.166706  0.610751  1
  S  S135  1  0.749981  0.291655  0.610742  1
  S  S136  1  0.833323  0.416575  0.610714  1
  S  S137  1  0.916663  0.541358  0.611017  1
  S  S138  1  0.000023  0.666307  0.611402  1
  S  S139  1  0.749853  0.041762  0.610808  1
  S  S140  1  0.833253  0.166711  0.610738  1
  S  S141  1  0.916648  0.291607  0.610713  1
  S  S142  1  -0.000003  0.416483  0.610799  1
  S  S143  1  0.916395  0.041810  0.611012  1
  S  S144  1  -0.000070  0.166691  0.610818  1
