# 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  0.083333  0.823432  0.295397  1
  W  W2  1  0.003198  0.751682  0.509596  1
  W  W3  1  0.083333  0.871538  0.511945  1
  W  W4  1  0.000253  0.500767  0.500664  1
  W  W5  1  0.083334  0.626998  0.505167  1
  W  W6  1  0.163469  0.751682  0.509597  1
  W  W7  1  0.248270  0.873581  0.505475  1
  W  W8  1  0.000144  0.249747  0.498577  1
  W  W9  1  0.083333  0.375290  0.499086  1
  W  W10  1  0.166415  0.500767  0.500666  1
  W  W11  1  0.249365  0.625847  0.501924  1
  W  W12  1  0.332211  0.749871  0.502108  1
  W  W13  1  0.415977  0.874358  0.501637  1
  W  W14  1  0.000802  0.998817  0.502168  1
  W  W15  1  0.083333  0.124377  0.499556  1
  W  W16  1  0.166522  0.249747  0.498577  1
  W  W17  1  0.249808  0.375109  0.498551  1
  W  W18  1  0.332903  0.500505  0.499059  1
  W  W19  1  0.416210  0.625124  0.499662  1
  W  W20  1  0.499648  0.749752  0.500260  1
  W  W21  1  0.583333  0.874517  0.500624  1
  W  W22  1  0.165865  0.998817  0.502169  1
  W  W23  1  0.249571  0.124226  0.499389  1
  W  W24  1  0.333041  0.249668  0.498167  1
  W  W25  1  0.416400  0.374965  0.497795  1
  W  W26  1  0.499911  0.500009  0.498097  1
  W  W27  1  0.583333  0.625082  0.498976  1
  W  W28  1  0.667018  0.749752  0.500259  1
  W  W29  1  0.750690  0.874358  0.501636  1
  W  W30  1  0.332558  0.999091  0.501272  1
  W  W31  1  0.416331  0.124358  0.499053  1
  W  W32  1  0.499867  0.249588  0.497837  1
  W  W33  1  0.583333  0.374906  0.497488  1
  W  W34  1  0.666756  0.500009  0.498097  1
  W  W35  1  0.750457  0.625124  0.499662  1
  W  W36  1  0.834456  0.749871  0.502107  1
  W  W37  1  0.918397  0.873581  0.505473  1
  W  W38  1  0.499711  0.999302  0.500307  1
  W  W39  1  0.583333  0.124375  0.498866  1
  W  W40  1  0.666800  0.249588  0.497838  1
  W  W41  1  0.750266  0.374965  0.497794  1
  W  W42  1  0.833764  0.500505  0.499058  1
  W  W43  1  0.917302  0.625847  0.501924  1
  W  W44  1  0.666957  0.999302  0.500306  1
  W  W45  1  0.750336  0.124358  0.499053  1
  W  W46  1  0.833626  0.249668  0.498167  1
  W  W47  1  0.916858  0.375109  0.498550  1
  W  W48  1  0.834110  0.999091  0.501270  1
  W  W49  1  0.917095  0.124225  0.499388  1
  S  S50  1  0.163913  0.911868  0.395284  1
  S  S51  1  0.083335  0.544326  0.391754  1
  S  S52  1  0.164007  0.670817  0.394973  1
  S  S53  1  0.244742  0.791460  0.394779  1
  S  S54  1  0.331129  0.914981  0.392339  1
  S  S55  1  0.083333  0.291809  0.388126  1
  S  S56  1  0.166359  0.417778  0.388887  1
  S  S57  1  0.248885  0.543209  0.389812  1
  S  S58  1  0.331986  0.667319  0.390396  1
  S  S59  1  0.415168  0.791454  0.390608  1
  S  S60  1  0.499293  0.915735  0.390257  1
  S  S61  1  0.083334  0.040103  0.390328  1
  S  S62  1  0.166475  0.165847  0.388468  1
  S  S63  1  0.249610  0.291606  0.387809  1
  S  S64  1  0.332762  0.417228  0.387921  1
  S  S65  1  0.416048  0.542198  0.388277  1
  S  S66  1  0.499518  0.666941  0.388897  1
  S  S67  1  0.583331  0.791454  0.389742  1
  S  S68  1  0.667373  0.915735  0.390256  1
  S  S69  1  0.248971  0.039786  0.390259  1
  S  S70  1  0.332824  0.165690  0.388308  1
  S  S71  1  0.416330  0.291326  0.387410  1
  S  S72  1  0.499750  0.416763  0.387208  1
  S  S73  1  0.583333  0.542030  0.387746  1
  S  S74  1  0.667148  0.666941  0.388897  1
  S  S75  1  0.751498  0.791453  0.390607  1
  S  S76  1  0.835538  0.914981  0.392337  1
  S  S77  1  0.415820  0.040253  0.389674  1
  S  S78  1  0.499751  0.165663  0.388055  1
  S  S79  1  0.583333  0.291218  0.387231  1
  S  S80  1  0.666917  0.416762  0.387209  1
  S  S81  1  0.750618  0.542198  0.388278  1
  S  S82  1  0.834681  0.667319  0.390396  1
  S  S83  1  0.921925  0.791460  0.394778  1
  S  S84  1  0.002754  0.911867  0.395283  1
  S  S85  1  0.583334  0.040463  0.389280  1
  S  S86  1  0.666916  0.165663  0.388055  1
  S  S87  1  0.750336  0.291326  0.387411  1
  S  S88  1  0.833903  0.417228  0.387920  1
  S  S89  1  0.917782  0.543209  0.389812  1
  S  S90  1  0.002660  0.670816  0.394973  1
  S  S91  1  0.750846  0.040253  0.389673  1
  S  S92  1  0.833842  0.165691  0.388308  1
  S  S93  1  0.917056  0.291606  0.387809  1
  S  S94  1  0.000308  0.417778  0.388887  1
  S  S95  1  0.917696  0.039786  0.390257  1
  S  S96  1  0.000192  0.165847  0.388468  1
  S  S97  1  0.083333  0.791149  0.624223  1
  S  S98  1  0.166253  0.917042  0.617399  1
  S  S99  1  0.083333  0.541542  0.612640  1
  S  S100  1  0.167565  0.667199  0.616537  1
  S  S101  1  0.249897  0.790359  0.616882  1
  S  S102  1  0.333432  0.916374  0.613303  1
  S  S103  1  0.083333  0.291549  0.609233  1
  S  S104  1  0.166766  0.416545  0.609910  1
  S  S105  1  0.250214  0.541727  0.611209  1
  S  S106  1  0.333574  0.666353  0.611914  1
  S  S107  1  0.416600  0.790985  0.612031  1
  S  S108  1  0.500007  0.916227  0.611455  1
  S  S109  1  0.083333  0.041724  0.612011  1
  S  S110  1  0.166593  0.166544  0.609762  1
  S  S111  1  0.249936  0.291539  0.608905  1
  S  S112  1  0.333351  0.416625  0.608875  1
  S  S113  1  0.416782  0.541406  0.609443  1
  S  S114  1  0.500028  0.666215  0.610241  1
  S  S115  1  0.583333  0.791119  0.610967  1
  S  S116  1  0.666661  0.916227  0.611455  1
  S  S117  1  0.249504  0.041556  0.611550  1
  S  S118  1  0.333087  0.166489  0.609304  1
  S  S119  1  0.416582  0.291511  0.608316  1
  S  S120  1  0.499982  0.416447  0.608220  1
  S  S121  1  0.583333  0.541376  0.608866  1
  S  S122  1  0.666638  0.666216  0.610241  1
  S  S123  1  0.750067  0.790985  0.612030  1
  S  S124  1  0.833235  0.916374  0.613301  1
  S  S125  1  0.416459  0.041466  0.610713  1
  S  S126  1  0.499887  0.166472  0.608999  1
  S  S127  1  0.583333  0.291491  0.608067  1
  S  S128  1  0.666684  0.416447  0.608221  1
  S  S129  1  0.749884  0.541406  0.609444  1
  S  S130  1  0.833093  0.666353  0.611914  1
  S  S131  1  0.916769  0.790359  0.616881  1
  S  S132  1  0.000414  0.917042  0.617399  1
  S  S133  1  0.583334  0.041429  0.610325  1
  S  S134  1  0.666780  0.166470  0.609000  1
  S  S135  1  0.750085  0.291510  0.608316  1
  S  S136  1  0.833315  0.416625  0.608874  1
  S  S137  1  0.916453  0.541727  0.611208  1
  S  S138  1  0.999102  0.667199  0.616537  1
  S  S139  1  0.750208  0.041465  0.610712  1
  S  S140  1  0.833580  0.166489  0.609303  1
  S  S141  1  0.916730  0.291539  0.608905  1
  S  S142  1  0.999901  0.416545  0.609909  1
  S  S143  1  0.917163  0.041555  0.611548  1
  S  S144  1  0.000073  0.166544  0.609762  1
