# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93917057
_cell_length_b   17.43388623
_cell_length_c   48.13589410
_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   4144.93070923
_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  0.003549  0.195036  0.306267  1
  Al  Al2  1  0.012062  0.984144  0.275886  1
  Al  Al3  1  1.001754  0.589823  0.290599  1
  Al  Al4  1  0.353753  0.931188  0.321088  1
  Al  Al5  1  0.353522  0.720235  0.288196  1
  Al  Al6  1  0.353192  0.326276  0.304417  1
  Al  Al7  1  0.654281  0.064616  0.312904  1
  Al  Al8  1  0.649987  0.855385  0.283029  1
  Al  Al9  1  0.649456  0.461369  0.298726  1
  Al  Al10  1  0.995055  0.011625  0.359011  1
  Al  Al11  1  1.001608  0.800978  0.326824  1
  Al  Al12  1  1.000997  0.406248  0.342942  1
  Al  Al13  1  0.347233  0.747242  0.369567  1
  Al  Al14  1  0.351773  0.537193  0.336808  1
  Al  Al15  1  0.352236  0.142567  0.353035  1
  Al  Al16  1  0.654168  0.880073  0.364117  1
  Al  Al17  1  0.650771  0.669447  0.331366  1
  Al  Al18  1  0.650786  0.274985  0.347467  1
  Al  Al19  1  1.001115  0.826929  0.409155  1
  Al  Al20  1  1.001348  0.616167  0.375362  1
  Al  Al21  1  1.000426  0.221170  0.391515  1
  Al  Al22  1  0.349958  0.562915  0.420068  1
  Al  Al23  1  0.347257  0.351865  0.385837  1
  Al  Al24  1  0.350220  0.958507  0.403619  1
  Al  Al25  1  0.652421  0.695615  0.414596  1
  Al  Al26  1  0.654871  0.485113  0.380321  1
  Al  Al27  1  0.655446  0.091341  0.396789  1
  Al  Al28  1  1.001569  0.642408  0.458970  1
  Al  Al29  1  1.001471  0.431752  0.425471  1
  Al  Al30  1  1.001275  0.037641  0.442298  1
  Al  Al31  1  0.348540  0.378240  0.470044  1
  Al  Al32  1  0.349716  0.168001  0.436680  1
  Al  Al33  1  0.349023  0.773562  0.453588  1
  Al  Al34  1  0.653688  0.511437  0.464439  1
  Al  Al35  1  0.652052  0.300980  0.430872  1
  Al  Al36  1  0.653833  0.906536  0.447977  1
  Al  Al37  1  1.001710  0.458004  0.509014  1
  Al  Al38  1  1.001619  0.247585  0.475510  1
  Al  Al39  1  1.001738  0.853209  0.492570  1
  Al  Al40  1  0.349653  0.194156  0.520548  1
  Al  Al41  1  0.350344  0.984183  0.487129  1
  Al  Al42  1  0.349900  0.589154  0.503535  1
  Al  Al43  1  0.653125  0.327117  0.514459  1
  Al  Al44  1  0.654217  0.117171  0.481050  1
  Al  Al45  1  0.653519  0.722060  0.498033  1
  Al  Al46  1  0.002362  0.273704  0.559364  1
  Al  Al47  1  0.001958  0.063727  0.526078  1
  Al  Al48  1  1.001854  0.668793  0.542612  1
  Al  Al49  1  0.351534  0.010336  0.570667  1
  Al  Al50  1  0.349703  0.799776  0.537139  1
  Al  Al51  1  0.349376  0.404672  0.553673  1
  Al  Al52  1  0.654216  0.143358  0.564958  1
  Al  Al53  1  0.654853  0.932936  0.531531  1
  Al  Al54  1  0.654359  0.537667  0.547980  1
  Al  Al55  1  0.002736  0.090048  0.609959  1
  Al  Al56  1  0.002113  0.879437  0.576091  1
  Al  Al57  1  0.002780  0.484318  0.592397  1
  Al  Al58  1  0.348824  0.826126  0.621224  1
  Al  Al59  1  0.350783  0.615523  0.587018  1
  Al  Al60  1  0.348693  0.220130  0.604846  1
  Al  Al61  1  0.656468  0.959305  0.615693  1
  Al  Al62  1  0.653471  0.748256  0.581502  1
  Al  Al63  1  0.652569  0.352686  0.598039  1
  Al  Al64  1  0.002621  0.905132  0.658573  1
  Al  Al65  1  0.002175  0.694920  0.626214  1
  Al  Al66  1  0.007426  0.299731  0.642612  1
  Al  Al67  1  0.353334  0.641516  0.670128  1
  Al  Al68  1  0.347557  0.430791  0.637998  1
  Al  Al69  1  0.353389  0.036525  0.653996  1
  Al  Al70  1  0.652006  0.774020  0.664766  1
  Al  Al71  1  0.655592  0.563780  0.632034  1
  Al  Al72  1  0.652768  0.169072  0.648696  1
  Al  Al73  1  1.001217  0.721785  0.710932  1
  Al  Al74  1  0.997347  0.510161  0.674589  1
  Al  Al75  1  0.002455  0.116020  0.694793  1
  Al  Al76  1  0.358996  0.459343  0.716519  1
  Al  Al77  1  0.352117  0.246468  0.687435  1
  Al  Al78  1  0.354241  0.850184  0.702741  1
  Al  Al79  1  0.652099  0.590828  0.713392  1
  Al  Al80  1  0.647322  0.379610  0.679837  1
  Al  Al81  1  0.650802  0.985622  0.697122  1
  Ni  Ni82  1  0.854356  0.933251  0.320306  1
  Ni  Ni83  1  0.853367  0.725042  0.288188  1
  Ni  Ni84  1  0.852921  0.330710  0.304251  1
  Ni  Ni85  1  0.156499  0.062061  0.315542  1
  Ni  Ni86  1  0.149988  0.850519  0.283166  1
  Ni  Ni87  1  0.149556  0.456478  0.299161  1
  Ni  Ni88  1  0.845837  0.747893  0.370403  1
  Ni  Ni89  1  0.853801  0.538799  0.336172  1
  Ni  Ni90  1  0.852668  0.143888  0.351823  1
  Ni  Ni91  1  0.154833  0.880137  0.365023  1
  Ni  Ni92  1  0.148800  0.667550  0.330921  1
  Ni  Ni93  1  0.148254  0.272800  0.347021  1
  Ni  Ni94  1  0.848929  0.563621  0.419837  1
  Ni  Ni95  1  0.846104  0.352965  0.386605  1
  Ni  Ni96  1  0.848725  0.958879  0.403441  1
  Ni  Ni97  1  0.153525  0.694899  0.414424  1
  Ni  Ni98  1  0.156205  0.484679  0.381217  1
  Ni  Ni99  1  0.156040  0.089931  0.397636  1
  Ni  Ni100  1  0.848061  0.379442  0.469967  1
  Ni  Ni101  1  0.848922  0.169253  0.436270  1
  Ni  Ni102  1  0.848458  0.774446  0.453587  1
  Ni  Ni103  1  0.154227  0.510398  0.464534  1
  Ni  Ni104  1  0.152971  0.299711  0.430761  1
  Ni  Ni105  1  0.154460  0.905713  0.448105  1
  Ni  Ni106  1  0.849052  0.195435  0.520211  1
  Ni  Ni107  1  0.849865  0.985291  0.486944  1
  Ni  Ni108  1  0.849361  0.590101  0.503504  1
  Ni  Ni109  1  0.153614  0.325971  0.514673  1
  Ni  Ni110  1  0.154820  0.115913  0.481409  1
  Ni  Ni111  1  0.154058  0.721112  0.498073  1
  Ni  Ni112  1  0.850556  0.011481  0.570769  1
  Ni  Ni113  1  0.849158  0.800791  0.537041  1
  Ni  Ni114  1  0.848686  0.405516  0.553495  1
  Ni  Ni115  1  0.155091  0.142124  0.565299  1
  Ni  Ni116  1  0.155333  0.931808  0.531604  1
  Ni  Ni117  1  0.154959  0.536786  0.547976  1
  Ni  Ni118  1  0.847519  0.826477  0.620348  1
  Ni  Ni119  1  0.849635  0.616274  0.587164  1
  Ni  Ni120  1  0.847975  0.221384  0.604051  1
  Ni  Ni121  1  0.157674  0.958302  0.614921  1
  Ni  Ni122  1  0.154513  0.747546  0.581744  1
  Ni  Ni123  1  0.154481  0.352497  0.598295  1
  Ni  Ni124  1  0.854998  0.643688  0.670657  1
  Ni  Ni125  1  0.847378  0.431115  0.636343  1
  Ni  Ni126  1  0.855513  0.038573  0.654419  1
  Ni  Ni127  1  0.150006  0.772468  0.665353  1
  Ni  Ni128  1  0.157301  0.563028  0.631216  1
  Ni  Ni129  1  0.151578  0.167316  0.649386  1
  Ni  Ni130  1  0.860248  0.458196  0.718125  1
  Ni  Ni131  1  0.852614  0.250205  0.686636  1
  Ni  Ni132  1  0.853978  0.855162  0.702351  1
  Ni  Ni133  1  0.150421  0.587133  0.713063  1
  Ni  Ni134  1  0.142941  0.376688  0.682062  1
  Ni  Ni135  1  0.151151  0.980741  0.697223  1
