# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91006102
_cell_length_b   17.33781526
_cell_length_c   48.04405987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4089.97789006
_cell_formula_units_Z   27
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  1.001799  0.196059  0.305356  1
  Al  Al2  1  0.047907  0.985337  0.274994  1
  Al  Al3  1  0.006327  0.591751  0.289945  1
  Al  Al4  1  0.352698  0.932357  0.321218  1
  Al  Al5  1  0.360032  0.723161  0.286580  1
  Al  Al6  1  0.353254  0.327461  0.302273  1
  Al  Al7  1  0.651561  0.064622  0.311188  1
  Al  Al8  1  0.661285  0.858448  0.280958  1
  Al  Al9  1  0.653508  0.461508  0.296777  1
  Al  Al10  1  0.991630  0.011803  0.358195  1
  Al  Al11  1  1.001381  0.803065  0.326860  1
  Al  Al12  1  0.004136  0.407123  0.342486  1
  Al  Al13  1  0.344168  0.747824  0.369087  1
  Al  Al14  1  0.347099  0.538793  0.335895  1
  Al  Al15  1  0.345941  0.142700  0.351744  1
  Al  Al16  1  0.663917  0.880347  0.364252  1
  Al  Al17  1  0.663229  0.670195  0.330573  1
  Al  Al18  1  0.659814  0.275252  0.346465  1
  Al  Al19  1  0.005115  0.827595  0.408543  1
  Al  Al20  1  0.004270  0.616751  0.374047  1
  Al  Al21  1  0.003775  0.221822  0.390042  1
  Al  Al22  1  0.346880  0.563736  0.419094  1
  Al  Al23  1  0.343431  0.352636  0.385116  1
  Al  Al24  1  0.346100  0.960227  0.402896  1
  Al  Al25  1  0.659899  0.696278  0.413782  1
  Al  Al26  1  0.663282  0.486090  0.379652  1
  Al  Al27  1  0.661336  0.092595  0.396013  1
  Al  Al28  1  0.003213  0.643121  0.458063  1
  Al  Al29  1  0.003407  0.432468  0.424459  1
  Al  Al30  1  1.000690  0.038894  0.441388  1
  Al  Al31  1  0.344144  0.379119  0.468999  1
  Al  Al32  1  0.344819  0.168764  0.435540  1
  Al  Al33  1  0.344110  0.774424  0.452768  1
  Al  Al34  1  0.661550  0.511988  0.463425  1
  Al  Al35  1  0.658832  0.301465  0.429823  1
  Al  Al36  1  0.660618  0.907043  0.447181  1
  Al  Al37  1  1.002874  0.458671  0.507975  1
  Al  Al38  1  0.003653  0.248347  0.474510  1
  Al  Al39  1  1.002715  0.854132  0.491714  1
  Al  Al40  1  0.344785  0.194826  0.519582  1
  Al  Al41  1  0.345179  0.985424  0.486226  1
  Al  Al42  1  0.345132  0.589958  0.502544  1
  Al  Al43  1  0.660280  0.327586  0.513456  1
  Al  Al44  1  0.660723  0.118159  0.480081  1
  Al  Al45  1  0.660204  0.722738  0.497153  1
  Al  Al46  1  0.004659  0.274118  0.558335  1
  Al  Al47  1  1.001510  0.064640  0.525140  1
  Al  Al48  1  1.002336  0.669596  0.541603  1
  Al  Al49  1  0.346466  0.011538  0.569765  1
  Al  Al50  1  0.343798  0.800842  0.536225  1
  Al  Al51  1  0.344836  0.405704  0.552563  1
  Al  Al52  1  0.660608  0.144236  0.564119  1
  Al  Al53  1  0.661239  0.933668  0.530645  1
  Al  Al54  1  0.661334  0.538307  0.546937  1
  Al  Al55  1  1.001041  0.091106  0.609497  1
  Al  Al56  1  1.002090  0.880360  0.575148  1
  Al  Al57  1  1.000873  0.485018  0.591281  1
  Al  Al58  1  0.342016  0.826733  0.619924  1
  Al  Al59  1  0.345627  0.616555  0.585877  1
  Al  Al60  1  0.344418  0.220358  0.603725  1
  Al  Al61  1  0.661812  0.960120  0.614430  1
  Al  Al62  1  0.658595  0.748999  0.580526  1
  Al  Al63  1  0.659251  0.352791  0.596913  1
  Al  Al64  1  1.001697  0.905873  0.657050  1
  Al  Al65  1  1.000541  0.696035  0.625574  1
  Al  Al66  1  0.012278  0.301065  0.641500  1
  Al  Al67  1  0.342101  0.642861  0.668934  1
  Al  Al68  1  0.342033  0.432079  0.635835  1
  Al  Al69  1  0.345831  0.037971  0.652992  1
  Al  Al70  1  0.658226  0.774364  0.663722  1
  Al  Al71  1  0.661201  0.564772  0.630550  1
  Al  Al72  1  0.660996  0.170435  0.647974  1
  Al  Al73  1  0.998636  0.721839  0.709668  1
  Al  Al74  1  1.002868  0.510348  0.672602  1
  Al  Al75  1  0.004161  0.116732  0.693811  1
  Al  Al76  1  0.339851  0.456862  0.717958  1
  Al  Al77  1  0.352691  0.248121  0.687623  1
  Al  Al78  1  0.351915  0.851780  0.702782  1
  Al  Al79  1  0.643845  0.590889  0.713076  1
  Al  Al80  1  0.654336  0.380157  0.679007  1
  Al  Al81  1  0.652007  0.985915  0.697215  1
  Ni  Ni82  1  0.864577  0.935396  0.318211  1
  Ni  Ni83  1  0.868659  0.728990  0.288157  1
  Ni  Ni84  1  0.862577  0.333144  0.303998  1
  Ni  Ni85  1  0.144446  0.062820  0.315121  1
  Ni  Ni86  1  0.152148  0.851094  0.283862  1
  Ni  Ni87  1  0.143718  0.456875  0.299092  1
  Ni  Ni88  1  0.851722  0.748183  0.369978  1
  Ni  Ni89  1  0.859741  0.538594  0.334266  1
  Ni  Ni90  1  0.856403  0.143796  0.349876  1
  Ni  Ni91  1  0.155433  0.881443  0.364804  1
  Ni  Ni92  1  0.150440  0.669854  0.329084  1
  Ni  Ni93  1  0.147339  0.273572  0.344872  1
  Ni  Ni94  1  0.856506  0.564836  0.418769  1
  Ni  Ni95  1  0.850803  0.353456  0.385790  1
  Ni  Ni96  1  0.854505  0.959894  0.402813  1
  Ni  Ni97  1  0.150460  0.694975  0.413490  1
  Ni  Ni98  1  0.156149  0.485780  0.380430  1
  Ni  Ni99  1  0.152017  0.090535  0.396576  1
  Ni  Ni100  1  0.853109  0.380208  0.468884  1
  Ni  Ni101  1  0.854724  0.170842  0.435082  1
  Ni  Ni102  1  0.853085  0.775242  0.452782  1
  Ni  Ni103  1  0.152403  0.510983  0.463518  1
  Ni  Ni104  1  0.149067  0.299891  0.429675  1
  Ni  Ni105  1  0.151716  0.906884  0.447325  1
  Ni  Ni106  1  0.853854  0.196457  0.519179  1
  Ni  Ni107  1  0.854463  0.986389  0.485980  1
  Ni  Ni108  1  0.854438  0.590952  0.502502  1
  Ni  Ni109  1  0.151002  0.326471  0.513707  1
  Ni  Ni110  1  0.151730  0.116587  0.480499  1
  Ni  Ni111  1  0.150860  0.721785  0.497171  1
  Ni  Ni112  1  0.856162  0.012946  0.569918  1
  Ni  Ni113  1  0.852958  0.801752  0.536134  1
  Ni  Ni114  1  0.853710  0.406053  0.552416  1
  Ni  Ni115  1  0.150865  0.142217  0.564554  1
  Ni  Ni116  1  0.152268  0.932733  0.530753  1
  Ni  Ni117  1  0.152168  0.537435  0.546968  1
  Ni  Ni118  1  0.849193  0.827041  0.619167  1
  Ni  Ni119  1  0.855111  0.617642  0.586164  1
  Ni  Ni120  1  0.853668  0.222416  0.603110  1
  Ni  Ni121  1  0.154537  0.959515  0.613764  1
  Ni  Ni122  1  0.148893  0.747962  0.580865  1
  Ni  Ni123  1  0.151159  0.352942  0.597007  1
  Ni  Ni124  1  0.854682  0.643398  0.670582  1
  Ni  Ni125  1  0.849833  0.431064  0.635124  1
  Ni  Ni126  1  0.857947  0.039218  0.654537  1
  Ni  Ni127  1  0.145640  0.774431  0.665309  1
  Ni  Ni128  1  0.154415  0.564595  0.629631  1
  Ni  Ni129  1  0.149532  0.169250  0.649467  1
  Ni  Ni130  1  0.851270  0.462373  0.715365  1
  Ni  Ni131  1  0.862938  0.251506  0.685030  1
  Ni  Ni132  1  0.861562  0.856577  0.700475  1
  Ni  Ni133  1  0.134199  0.585059  0.711188  1
  Ni  Ni134  1  0.138218  0.377168  0.681817  1
  Ni  Ni135  1  0.142873  0.980016  0.695484  1
