# generated using pymatgen
data_AlW48S95
_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   AlW48S95
_chemical_formula_sum   'Al1 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
  Al  Al1  1  0.083230  0.821965  0.299379  1
  W  W2  1  0.003179  0.751650  0.509963  1
  W  W3  1  0.083333  0.871530  0.512294  1
  W  W4  1  0.000228  0.500731  0.500468  1
  W  W5  1  0.083335  0.626972  0.505243  1
  W  W6  1  0.163490  0.751649  0.509961  1
  W  W7  1  0.248264  0.873565  0.505748  1
  W  W8  1  0.000167  0.249751  0.498304  1
  W  W9  1  0.083334  0.375288  0.498764  1
  W  W10  1  0.166440  0.500731  0.500468  1
  W  W11  1  0.249366  0.625854  0.501971  1
  W  W12  1  0.332193  0.749854  0.502334  1
  W  W13  1  0.416003  0.874369  0.501805  1
  W  W14  1  0.000818  0.998783  0.502316  1
  W  W15  1  0.083336  0.124418  0.499484  1
  W  W16  1  0.166502  0.249751  0.498305  1
  W  W17  1  0.249831  0.375122  0.498254  1
  W  W18  1  0.332923  0.500487  0.498877  1
  W  W19  1  0.416255  0.625120  0.499714  1
  W  W20  1  0.499666  0.749780  0.500431  1
  W  W21  1  0.583335  0.874562  0.500746  1
  W  W22  1  0.165850  0.998779  0.502316  1
  W  W23  1  0.249603  0.124243  0.499301  1
  W  W24  1  0.333049  0.249715  0.497918  1
  W  W25  1  0.416409  0.374981  0.497540  1
  W  W26  1  0.499922  0.500048  0.497971  1
  W  W27  1  0.583334  0.625091  0.499018  1
  W  W28  1  0.667002  0.749782  0.500427  1
  W  W29  1  0.750665  0.874370  0.501801  1
  W  W30  1  0.332563  0.999146  0.501357  1
  W  W31  1  0.416305  0.124369  0.498945  1
  W  W32  1  0.499894  0.249615  0.497620  1
  W  W33  1  0.583334  0.374945  0.497294  1
  W  W34  1  0.666746  0.500049  0.497970  1
  W  W35  1  0.750413  0.625121  0.499710  1
  W  W36  1  0.834476  0.749857  0.502327  1
  W  W37  1  0.918401  0.873568  0.505747  1
  W  W38  1  0.499741  0.999329  0.500311  1
  W  W39  1  0.583335  0.124443  0.498733  1
  W  W40  1  0.666773  0.249616  0.497621  1
  W  W41  1  0.750258  0.374981  0.497540  1
  W  W42  1  0.833744  0.500488  0.498877  1
  W  W43  1  0.917304  0.625856  0.501969  1
  W  W44  1  0.666928  0.999329  0.500310  1
  W  W45  1  0.750363  0.124371  0.498943  1
  W  W46  1  0.833619  0.249716  0.497919  1
  W  W47  1  0.916837  0.375123  0.498253  1
  W  W48  1  0.834105  0.999149  0.501352  1
  W  W49  1  0.917065  0.124245  0.499300  1
  S  S50  1  0.163933  0.911824  0.395504  1
  S  S51  1  0.083334  0.544387  0.391669  1
  S  S52  1  0.164015  0.670850  0.395148  1
  S  S53  1  0.244731  0.791448  0.395063  1
  S  S54  1  0.331100  0.914949  0.392564  1
  S  S55  1  0.083334  0.291805  0.387801  1
  S  S56  1  0.166363  0.417789  0.388598  1
  S  S57  1  0.248914  0.543257  0.389711  1
  S  S58  1  0.332013  0.667360  0.390518  1
  S  S59  1  0.415170  0.791470  0.390826  1
  S  S60  1  0.499286  0.915732  0.390357  1
  S  S61  1  0.083336  0.040033  0.390426  1
  S  S62  1  0.166478  0.165795  0.388313  1
  S  S63  1  0.249621  0.291604  0.387526  1
  S  S64  1  0.332798  0.417267  0.387635  1
  S  S65  1  0.416073  0.542271  0.388171  1
  S  S66  1  0.499524  0.667013  0.388983  1
  S  S67  1  0.583333  0.791479  0.389901  1
  S  S68  1  0.667381  0.915733  0.390356  1
  S  S69  1  0.248951  0.039738  0.390323  1
  S  S70  1  0.332824  0.165671  0.388144  1
  S  S71  1  0.416354  0.291342  0.387142  1
  S  S72  1  0.499772  0.416832  0.387000  1
  S  S73  1  0.583333  0.542113  0.387652  1
  S  S74  1  0.667143  0.667013  0.388980  1
  S  S75  1  0.751497  0.791471  0.390820  1
  S  S76  1  0.835568  0.914952  0.392559  1
  S  S77  1  0.415815  0.040228  0.389665  1
  S  S78  1  0.499734  0.165660  0.387892  1
  S  S79  1  0.583334  0.291261  0.386994  1
  S  S80  1  0.666895  0.416832  0.386999  1
  S  S81  1  0.750595  0.542270  0.388169  1
  S  S82  1  0.834656  0.667361  0.390514  1
  S  S83  1  0.921941  0.791452  0.395058  1
  S  S84  1  0.002732  0.911828  0.395506  1
  S  S85  1  0.583334  0.040463  0.389232  1
  S  S86  1  0.666934  0.165662  0.387891  1
  S  S87  1  0.750313  0.291342  0.387143  1
  S  S88  1  0.833869  0.417267  0.387635  1
  S  S89  1  0.917754  0.543257  0.389710  1
  S  S90  1  0.002656  0.670851  0.395144  1
  S  S91  1  0.750851  0.040230  0.389660  1
  S  S92  1  0.833844  0.165672  0.388144  1
  S  S93  1  0.917047  0.291604  0.387526  1
  S  S94  1  0.000305  0.417789  0.388598  1
  S  S95  1  0.917718  0.039742  0.390322  1
  S  S96  1  0.000192  0.165795  0.388313  1
  S  S97  1  0.083336  0.791113  0.624566  1
  S  S98  1  0.166278  0.917089  0.617658  1
  S  S99  1  0.083334  0.541415  0.612504  1
  S  S100  1  0.167602  0.667066  0.616709  1
  S  S101  1  0.249965  0.790313  0.617166  1
  S  S102  1  0.333478  0.916440  0.613448  1
  S  S103  1  0.083334  0.291578  0.608946  1
  S  S104  1  0.166765  0.416486  0.609641  1
  S  S105  1  0.250226  0.541612  0.611073  1
  S  S106  1  0.333618  0.666270  0.612010  1
  S  S107  1  0.416640  0.791000  0.612216  1
  S  S108  1  0.500025  0.916313  0.611559  1
  S  S109  1  0.083334  0.041817  0.612050  1
  S  S110  1  0.166605  0.166632  0.609610  1
  S  S111  1  0.249932  0.291571  0.608625  1
  S  S112  1  0.333358  0.416598  0.608636  1
  S  S113  1  0.416781  0.541346  0.609366  1
  S  S114  1  0.500045  0.666190  0.610342  1
  S  S115  1  0.583335  0.791167  0.611136  1
  S  S116  1  0.666645  0.916314  0.611559  1
  S  S117  1  0.249523  0.041650  0.611577  1
  S  S118  1  0.333100  0.166582  0.609154  1
  S  S119  1  0.416588  0.291542  0.608069  1
  S  S120  1  0.499976  0.416449  0.608021  1
  S  S121  1  0.583334  0.541347  0.608815  1
  S  S122  1  0.666624  0.666193  0.610338  1
  S  S123  1  0.750029  0.791001  0.612210  1
  S  S124  1  0.833187  0.916444  0.613443  1
  S  S125  1  0.416501  0.041550  0.610716  1
  S  S126  1  0.499887  0.166544  0.608835  1
  S  S127  1  0.583334  0.291528  0.607855  1
  S  S128  1  0.666692  0.416449  0.608021  1
  S  S129  1  0.749887  0.541347  0.609365  1
  S  S130  1  0.833050  0.666274  0.612002  1
  S  S131  1  0.916702  0.790315  0.617164  1
  S  S132  1  0.000388  0.917091  0.617655  1
  S  S133  1  0.583335  0.041527  0.610277  1
  S  S134  1  0.666782  0.166545  0.608835  1
  S  S135  1  0.750080  0.291543  0.608071  1
  S  S136  1  0.833310  0.416598  0.608636  1
  S  S137  1  0.916442  0.541615  0.611072  1
  S  S138  1  0.999068  0.667066  0.616707  1
  S  S139  1  0.750168  0.041552  0.610714  1
  S  S140  1  0.833568  0.166583  0.609154  1
  S  S141  1  0.916737  0.291571  0.608625  1
  S  S142  1  0.999904  0.416486  0.609641  1
  S  S143  1  0.917143  0.041652  0.611576  1
  S  S144  1  0.000065  0.166632  0.609609  1
