# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90667155
_cell_length_b   15.38031490
_cell_length_c   48.56454231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.44690370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2893.42873061
_cell_formula_units_Z   18
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  0.904297  0.814898  0.276446  1
  Al  Al2  1  0.056730  0.118100  0.295275  1
  Al  Al3  1  0.201516  0.411961  0.324256  1
  Al  Al4  1  0.488209  0.983126  0.309590  1
  Al  Al5  1  0.643937  0.296245  0.339964  1
  Al  Al6  1  0.329291  0.666206  0.287859  1
  Al  Al7  1  0.933505  0.872504  0.334004  1
  Al  Al8  1  0.624805  0.247181  0.288493  1
  Al  Al9  1  0.774514  0.556555  0.310563  1
  Al  Al10  1  0.363621  0.734277  0.347322  1
  Al  Al11  1  0.523813  0.054149  0.369568  1
  Al  Al12  1  0.686154  0.379520  0.395806  1
  Al  Al13  1  0.962297  0.931892  0.384496  1
  Al  Al14  1  0.119456  0.245850  0.410203  1
  Al  Al15  1  0.803312  0.614420  0.361636  1
  Al  Al16  1  0.407219  0.820554  0.404052  1
  Al  Al17  1  0.090261  0.186298  0.356969  1
  Al  Al18  1  0.248241  0.503583  0.380577  1
  Al  Al19  1  0.843586  0.693940  0.418904  1
  Al  Al20  1  1.001463  0.009372  0.442053  1
  Al  Al21  1  0.159417  0.325102  0.466949  1
  Al  Al22  1  0.437268  0.881356  0.456515  1
  Al  Al23  1  0.595501  0.197545  0.481034  1
  Al  Al24  1  0.278459  0.563873  0.433477  1
  Al  Al25  1  0.882486  0.770903  0.475859  1
  Al  Al26  1  0.565388  0.136963  0.427747  1
  Al  Al27  1  0.723770  0.453817  0.452636  1
  Al  Al28  1  0.318202  0.642561  0.490352  1
  Al  Al29  1  0.477028  0.960077  0.513622  1
  Al  Al30  1  0.635225  0.276262  0.538583  1
  Al  Al31  1  0.912636  0.831302  0.527949  1
  Al  Al32  1  0.071174  0.148398  0.552830  1
  Al  Al33  1  0.753910  0.514207  0.504806  1
  Al  Al34  1  0.357883  0.721121  0.547211  1
  Al  Al35  1  0.041015  0.087759  0.499558  1
  Al  Al36  1  0.199172  0.403811  0.524136  1
  Al  Al37  1  0.792644  0.590869  0.561803  1
  Al  Al38  1  0.950173  0.905420  0.584686  1
  Al  Al39  1  0.112651  0.230993  0.610960  1
  Al  Al40  1  0.388155  0.781450  0.599998  1
  Al  Al41  1  0.546247  0.098840  0.623491  1
  Al  Al42  1  0.229084  0.464429  0.576702  1
  Al  Al43  1  0.833057  0.670683  0.618767  1
  Al  Al44  1  0.517076  0.039506  0.570271  1
  Al  Al45  1  0.674164  0.353315  0.596554  1
  Al  Al46  1  0.272028  0.549403  0.633283  1
  Al  Al47  1  0.435187  0.873717  0.656164  1
  Al  Al48  1  0.578710  0.164667  0.684881  1
  Al  Al49  1  0.861754  0.728210  0.669751  1
  Al  Al50  1  1.011932  0.037321  0.691990  1
  Al  Al51  1  0.703492  0.413370  0.647516  1
  Al  Al52  1  0.306761  0.618377  0.691297  1
  Al  Al53  1  0.992525  0.988960  0.640421  1
  Al  Al54  1  0.148961  0.303351  0.670266  1
  Ni  Ni55  1  0.407767  0.821673  0.306496  1
  Ni  Ni56  1  0.567249  0.139857  0.327301  1
  Ni  Ni57  1  0.246594  0.501504  0.284223  1
  Ni  Ni58  1  1.012622  0.032025  0.339984  1
  Ni  Ni59  1  0.695891  0.401573  0.296036  1
  Ni  Ni60  1  0.854248  0.715894  0.317944  1
  Ni  Ni61  1  0.883559  0.773529  0.374954  1
  Ni  Ni62  1  0.041717  0.089569  0.398289  1
  Ni  Ni63  1  0.724564  0.456930  0.351420  1
  Ni  Ni64  1  0.485442  0.977889  0.414008  1
  Ni  Ni65  1  0.167372  0.342686  0.369001  1
  Ni  Ni66  1  0.326327  0.660058  0.391475  1
  Ni  Ni67  1  0.358808  0.723843  0.446853  1
  Ni  Ni68  1  0.517477  0.040876  0.470155  1
  Ni  Ni69  1  0.199953  0.406545  0.423650  1
  Ni  Ni70  1  0.960963  0.928490  0.485613  1
  Ni  Ni71  1  0.643803  0.294370  0.438729  1
  Ni  Ni72  1  0.802394  0.611478  0.462304  1
  Ni  Ni73  1  0.833969  0.673564  0.518408  1
  Ni  Ni74  1  0.992669  0.990870  0.541825  1
  Ni  Ni75  1  0.675514  0.356747  0.494968  1
  Ni  Ni76  1  0.436469  0.878587  0.556888  1
  Ni  Ni77  1  0.119036  0.244419  0.510453  1
  Ni  Ni78  1  0.277545  0.561200  0.533847  1
  Ni  Ni79  1  0.309897  0.624760  0.589263  1
  Ni  Ni80  1  0.469089  0.942522  0.611395  1
  Ni  Ni81  1  0.151125  0.307489  0.566688  1
  Ni  Ni82  1  0.911840  0.828139  0.629091  1
  Ni  Ni83  1  0.594886  0.195859  0.582265  1
  Ni  Ni84  1  0.752633  0.511236  0.605802  1
  Ni  Ni85  1  0.782060  0.569101  0.662183  1
  Ni  Ni86  1  0.940242  0.883010  0.684372  1
  Ni  Ni87  1  0.623887  0.253191  0.640425  1
  Ni  Ni88  1  0.389770  0.783444  0.695978  1
  Ni  Ni89  1  0.069362  0.145431  0.653148  1
  Ni  Ni90  1  0.229592  0.465001  0.674839  1
