# 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  0.791563  0.370331  1
  W  W2  1  0.000663  0.750396  0.500640  1
  W  W3  1  0.083333  0.874422  0.500714  1
  W  W4  1  -0.000053  0.499745  0.500062  1
  W  W5  1  0.083333  0.625165  0.500564  1
  W  W6  1  0.166004  0.750396  0.500640  1
  W  W7  1  0.249947  0.874925  0.500602  1
  W  W8  1  -0.000057  0.250100  0.499992  1
  W  W9  1  0.083333  0.375116  0.499940  1
  W  W10  1  0.166720  0.499745  0.500062  1
  W  W11  1  0.250270  0.624729  0.500356  1
  W  W12  1  0.333760  0.749999  0.500398  1
  W  W13  1  0.416952  0.875052  0.500063  1
  W  W14  1  -0.000170  0.000339  0.500342  1
  W  W15  1  0.083333  0.125313  0.500181  1
  W  W16  1  0.166724  0.250100  0.499992  1
  W  W17  1  0.249947  0.374988  0.499975  1
  W  W18  1  0.333447  0.499965  0.500001  1
  W  W19  1  0.416890  0.624844  0.500192  1
  W  W20  1  0.500119  0.749965  0.500020  1
  W  W21  1  0.583333  0.875105  0.499996  1
  W  W22  1  0.166837  0.000339  0.500342  1
  W  W23  1  0.250009  0.125190  0.500014  1
  W  W24  1  0.333392  0.250119  0.499952  1
  W  W25  1  0.416746  0.374916  0.499961  1
  W  W26  1  0.500024  0.499898  0.499985  1
  W  W27  1  0.583333  0.625003  0.500004  1
  W  W28  1  0.666548  0.749965  0.500020  1
  W  W29  1  0.749715  0.875052  0.500063  1
  W  W30  1  0.333554  0.000169  0.500058  1
  W  W31  1  0.416815  0.125027  0.499981  1
  W  W32  1  0.499920  0.250027  0.499970  1
  W  W33  1  0.583333  0.375020  0.499982  1
  W  W34  1  0.666643  0.499898  0.499985  1
  W  W35  1  0.749776  0.624844  0.500192  1
  W  W36  1  0.832907  0.749999  0.500398  1
  W  W37  1  0.916720  0.874925  0.500602  1
  W  W38  1  0.499933  0.000009  0.499941  1
  W  W39  1  0.583333  0.125022  0.499980  1
  W  W40  1  0.666747  0.250027  0.499970  1
  W  W41  1  0.749920  0.374916  0.499961  1
  W  W42  1  0.833219  0.499965  0.500001  1
  W  W43  1  0.916397  0.624729  0.500356  1
  W  W44  1  0.666734  0.000009  0.499941  1
  W  W45  1  0.749851  0.125027  0.499981  1
  W  W46  1  0.833274  0.250119  0.499952  1
  W  W47  1  0.916720  0.374988  0.499975  1
  W  W48  1  0.833113  0.000169  0.500058  1
  W  W49  1  0.916658  0.125190  0.500014  1
  S  S50  1  0.166578  0.916645  0.390292  1
  S  S51  1  0.083333  0.541861  0.389755  1
  S  S52  1  0.166756  0.666753  0.390260  1
  S  S53  1  0.250046  0.791540  0.390207  1
  S  S54  1  0.333143  0.916516  0.389703  1
  S  S55  1  0.083333  0.291738  0.389317  1
  S  S56  1  0.166648  0.416558  0.389160  1
  S  S57  1  0.249999  0.541463  0.389438  1
  S  S58  1  0.333512  0.666584  0.389741  1
  S  S59  1  0.416873  0.791722  0.389402  1
  S  S60  1  0.500065  0.916721  0.389161  1
  S  S61  1  0.083333  0.041859  0.389775  1
  S  S62  1  0.166658  0.166779  0.389345  1
  S  S63  1  0.250033  0.291667  0.389244  1
  S  S64  1  0.333377  0.416592  0.389354  1
  S  S65  1  0.416762  0.541601  0.389330  1
  S  S66  1  0.500027  0.666596  0.389320  1
  S  S67  1  0.583333  0.791651  0.389264  1
  S  S68  1  0.666602  0.916722  0.389161  1
  S  S69  1  0.250213  0.041773  0.389479  1
  S  S70  1  0.333407  0.166729  0.389372  1
  S  S71  1  0.416695  0.291664  0.389210  1
  S  S72  1  0.500018  0.416592  0.389260  1
  S  S73  1  0.583333  0.541594  0.389337  1
  S  S74  1  0.666639  0.666596  0.389320  1
  S  S75  1  0.749793  0.791722  0.389402  1
  S  S76  1  0.833524  0.916516  0.389703  1
  S  S77  1  0.416782  0.041709  0.389222  1
  S  S78  1  0.500061  0.166697  0.389297  1
  S  S79  1  0.583333  0.291630  0.389394  1
  S  S80  1  0.666649  0.416592  0.389260  1
  S  S81  1  0.749904  0.541601  0.389330  1
  S  S82  1  0.833155  0.666584  0.389741  1
  S  S83  1  0.916621  0.791540  0.390207  1
  S  S84  1  0.000088  0.916645  0.390292  1
  S  S85  1  0.583333  0.041617  0.389322  1
  S  S86  1  0.666606  0.166697  0.389297  1
  S  S87  1  0.749971  0.291664  0.389210  1
  S  S88  1  0.833290  0.416592  0.389354  1
  S  S89  1  0.916668  0.541463  0.389438  1
  S  S90  1  -0.000089  0.666753  0.390260  1
  S  S91  1  0.749885  0.041709  0.389222  1
  S  S92  1  0.833260  0.166729  0.389372  1
  S  S93  1  0.916633  0.291667  0.389244  1
  S  S94  1  0.000018  0.416558  0.389160  1
  S  S95  1  0.916454  0.041773  0.389479  1
  S  S96  1  0.000008  0.166779  0.389345  1
  S  S97  1  0.083333  0.791690  0.610859  1
  S  S98  1  0.166756  0.917020  0.611135  1
  S  S99  1  0.083333  0.541514  0.610601  1
  S  S100  1  0.167004  0.666463  0.611071  1
  S  S101  1  0.250362  0.791542  0.611166  1
  S  S102  1  0.333503  0.916718  0.610694  1
  S  S103  1  0.083333  0.291741  0.610602  1
  S  S104  1  0.166687  0.416512  0.610807  1
  S  S105  1  0.250057  0.541235  0.610839  1
  S  S106  1  0.333674  0.666490  0.610828  1
  S  S107  1  0.417119  0.791822  0.610878  1
  S  S108  1  0.500129  0.916737  0.610797  1
  S  S109  1  0.083333  0.042017  0.610795  1
  S  S110  1  0.166729  0.166853  0.610798  1
  S  S111  1  0.250037  0.291678  0.610690  1
  S  S112  1  0.333374  0.416564  0.610584  1
  S  S113  1  0.416797  0.541507  0.610800  1
  S  S114  1  0.500120  0.666615  0.610794  1
  S  S115  1  0.583333  0.791689  0.610681  1
  S  S116  1  0.666537  0.916738  0.610797  1
  S  S117  1  0.250399  0.041918  0.610805  1
  S  S118  1  0.333426  0.166754  0.610568  1
  S  S119  1  0.416686  0.291670  0.610734  1
  S  S120  1  0.500016  0.416585  0.610695  1
  S  S121  1  0.583333  0.541580  0.610633  1
  S  S122  1  0.666547  0.666615  0.610794  1
  S  S123  1  0.749547  0.791823  0.610878  1
  S  S124  1  0.833164  0.916718  0.610694  1
  S  S125  1  0.416805  0.041751  0.610754  1
  S  S126  1  0.500070  0.166693  0.610675  1
  S  S127  1  0.583333  0.291630  0.610592  1
  S  S128  1  0.666651  0.416585  0.610695  1
  S  S129  1  0.749870  0.541507  0.610800  1
  S  S130  1  0.832993  0.666490  0.610828  1
  S  S131  1  0.916304  0.791542  0.611166  1
  S  S132  1  -0.000089  0.917020  0.611135  1
  S  S133  1  0.583333  0.041629  0.610549  1
  S  S134  1  0.666597  0.166693  0.610675  1
  S  S135  1  0.749981  0.291670  0.610734  1
  S  S136  1  0.833293  0.416564  0.610584  1
  S  S137  1  0.916610  0.541235  0.610839  1
  S  S138  1  -0.000337  0.666463  0.611072  1
  S  S139  1  0.749862  0.041751  0.610754  1
  S  S140  1  0.833240  0.166754  0.610569  1
  S  S141  1  0.916629  0.291678  0.610690  1
  S  S142  1  -0.000020  0.416512  0.610807  1
  S  S143  1  0.916267  0.041918  0.610805  1
  S  S144  1  -0.000063  0.166853  0.610798  1
