# 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  0.749883  0.500000  1
  W  W2  1  0.085326  0.877397  0.500000  1
  W  W3  1  -0.000000  0.498114  0.500000  1
  W  W4  1  0.084805  0.622219  0.500000  1
  W  W5  1  0.170016  0.750258  0.500000  1
  W  W6  1  0.251722  0.875833  0.500000  1
  W  W7  1  -0.000000  0.249304  0.500000  1
  W  W8  1  0.082340  0.374682  0.500000  1
  W  W9  1  0.166282  0.498969  0.500000  1
  W  W10  1  0.249244  0.625337  0.500000  1
  W  W11  1  0.333999  0.750811  0.500000  1
  W  W12  1  0.416488  0.875681  0.500000  1
  W  W13  1  -0.000000  -0.000800  0.500000  1
  W  W14  1  0.084661  0.124892  0.500000  1
  W  W15  1  0.167021  0.248730  0.500000  1
  W  W16  1  0.251310  0.375053  0.500000  1
  W  W17  1  0.332912  0.499387  0.500000  1
  W  W18  1  0.417168  0.625584  0.500000  1
  W  W19  1  0.500000  0.749690  0.500000  1
  W  W20  1  0.583512  0.875681  0.500000  1
  W  W21  1  0.167854  0.000158  0.500000  1
  W  W22  1  0.249263  0.125735  0.500000  1
  W  W23  1  0.333506  0.250041  0.500000  1
  W  W24  1  0.414600  0.375604  0.500000  1
  W  W25  1  0.500000  0.500258  0.500000  1
  W  W26  1  0.582833  0.625584  0.499999  1
  W  W27  1  0.666001  0.750812  0.500000  1
  W  W28  1  0.748278  0.875833  0.500000  1
  W  W29  1  0.333773  -0.000451  0.500000  1
  W  W30  1  0.418140  0.126300  0.500000  1
  W  W31  1  0.500000  0.248824  0.500000  1
  W  W32  1  0.585400  0.375604  0.500000  1
  W  W33  1  0.667088  0.499387  0.500000  1
  W  W34  1  0.750756  0.625337  0.500000  1
  W  W35  1  0.829984  0.750258  0.500000  1
  W  W36  1  0.914674  0.877397  0.500000  1
  W  W37  1  0.500000  0.000532  0.500000  1
  W  W38  1  0.581860  0.126300  0.500000  1
  W  W39  1  0.666494  0.250041  0.500000  1
  W  W40  1  0.748690  0.375053  0.500000  1
  W  W41  1  0.833718  0.498969  0.500000  1
  W  W42  1  0.915195  0.622219  0.500000  1
  W  W43  1  0.666227  -0.000451  0.500000  1
  W  W44  1  0.750737  0.125735  0.500000  1
  W  W45  1  0.832979  0.248730  0.500000  1
  W  W46  1  0.917660  0.374682  0.500000  1
  W  W47  1  0.832146  0.000158  0.500000  1
  W  W48  1  0.915339  0.124892  0.500000  1
  S  S49  1  0.088309  0.794174  0.386991  1
  S  S50  1  0.168388  0.917466  0.388690  1
  S  S51  1  0.083296  0.539886  0.388732  1
  S  S52  1  0.166146  0.666899  0.389789  1
  S  S53  1  0.251532  0.792529  0.388671  1
  S  S54  1  0.334137  0.917061  0.388482  1
  S  S55  1  0.083529  0.291019  0.389753  1
  S  S56  1  0.166744  0.415582  0.389722  1
  S  S57  1  0.249656  0.541681  0.389691  1
  S  S58  1  0.333194  0.666852  0.389688  1
  S  S59  1  0.417203  0.792120  0.389418  1
  S  S60  1  0.500000  0.917223  0.389386  1
  S  S61  1  0.083492  0.041304  0.389698  1
  S  S62  1  0.166743  0.166492  0.388306  1
  S  S63  1  0.250056  0.291422  0.389445  1
  S  S64  1  0.332929  0.417100  0.388089  1
  S  S65  1  0.416438  0.541855  0.389768  1
  S  S66  1  0.500000  0.666791  0.388863  1
  S  S67  1  0.582797  0.792120  0.389418  1
  S  S68  1  0.665863  0.917061  0.388482  1
  S  S69  1  0.250870  0.042153  0.389606  1
  S  S70  1  0.333492  0.166764  0.389452  1
  S  S71  1  0.416934  0.291895  0.389712  1
  S  S72  1  0.500000  0.416294  0.390394  1
  S  S73  1  0.583562  0.541855  0.389768  1
  S  S74  1  0.666806  0.666852  0.389688  1
  S  S75  1  0.748468  0.792529  0.388671  1
  S  S76  1  0.831612  0.917466  0.388690  1
  S  S77  1  0.416685  0.042389  0.389770  1
  S  S78  1  0.500000  0.167082  0.387613  1
  S  S79  1  0.583066  0.291895  0.389712  1
  S  S80  1  0.667071  0.417100  0.388089  1
  S  S81  1  0.750344  0.541681  0.389691  1
  S  S82  1  0.833854  0.666899  0.389789  1
  S  S83  1  0.911691  0.794174  0.386991  1
  S  S84  1  -0.000000  0.916119  0.389825  1
  S  S85  1  0.583315  0.042389  0.389770  1
  S  S86  1  0.666508  0.166764  0.389452  1
  S  S87  1  0.749944  0.291422  0.389444  1
  S  S88  1  0.833256  0.415582  0.389722  1
  S  S89  1  0.916704  0.539886  0.388732  1
  S  S90  1  0.000000  0.661548  0.387055  1
  S  S91  1  0.749130  0.042153  0.389606  1
  S  S92  1  0.833257  0.166492  0.388306  1
  S  S93  1  0.916471  0.291019  0.389753  1
  S  S94  1  -0.000000  0.415753  0.388266  1
  S  S95  1  0.916508  0.041304  0.389698  1
  S  S96  1  -0.000000  0.165796  0.389894  1
  S  S97  1  0.088309  0.794174  0.613008  1
  S  S98  1  0.168388  0.917466  0.611310  1
  S  S99  1  0.083296  0.539886  0.611268  1
  S  S100  1  0.166146  0.666899  0.610211  1
  S  S101  1  0.251532  0.792529  0.611329  1
  S  S102  1  0.334137  0.917061  0.611517  1
  S  S103  1  0.083529  0.291019  0.610247  1
  S  S104  1  0.166744  0.415582  0.610278  1
  S  S105  1  0.249656  0.541681  0.610309  1
  S  S106  1  0.333194  0.666852  0.610312  1
  S  S107  1  0.417203  0.792120  0.610582  1
  S  S108  1  0.500000  0.917223  0.610614  1
  S  S109  1  0.083492  0.041304  0.610302  1
  S  S110  1  0.166743  0.166492  0.611694  1
  S  S111  1  0.250056  0.291422  0.610556  1
  S  S112  1  0.332929  0.417100  0.611911  1
  S  S113  1  0.416438  0.541855  0.610232  1
  S  S114  1  0.500000  0.666791  0.611137  1
  S  S115  1  0.582797  0.792120  0.610582  1
  S  S116  1  0.665863  0.917061  0.611517  1
  S  S117  1  0.250870  0.042153  0.610394  1
  S  S118  1  0.333492  0.166764  0.610548  1
  S  S119  1  0.416934  0.291895  0.610288  1
  S  S120  1  0.500000  0.416294  0.609606  1
  S  S121  1  0.583562  0.541855  0.610231  1
  S  S122  1  0.666806  0.666852  0.610312  1
  S  S123  1  0.748468  0.792529  0.611329  1
  S  S124  1  0.831612  0.917466  0.611310  1
  S  S125  1  0.416685  0.042389  0.610230  1
  S  S126  1  0.500000  0.167082  0.612387  1
  S  S127  1  0.583066  0.291895  0.610288  1
  S  S128  1  0.667071  0.417100  0.611911  1
  S  S129  1  0.750344  0.541681  0.610309  1
  S  S130  1  0.833854  0.666899  0.610211  1
  S  S131  1  0.911691  0.794174  0.613008  1
  S  S132  1  -0.000000  0.916119  0.610175  1
  S  S133  1  0.583315  0.042389  0.610230  1
  S  S134  1  0.666508  0.166764  0.610548  1
  S  S135  1  0.749944  0.291422  0.610555  1
  S  S136  1  0.833256  0.415582  0.610278  1
  S  S137  1  0.916704  0.539886  0.611268  1
  S  S138  1  -0.000000  0.661548  0.612945  1
  S  S139  1  0.749130  0.042153  0.610394  1
  S  S140  1  0.833257  0.166492  0.611694  1
  S  S141  1  0.916471  0.291019  0.610247  1
  S  S142  1  -0.000000  0.415753  0.611734  1
  S  S143  1  0.916508  0.041304  0.610302  1
  S  S144  1  -0.000000  0.165796  0.610106  1
