# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94067400
_cell_length_b   10.58893046
_cell_length_c   51.55442461
_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   'Al54 Ni36'
_cell_volume   2697.14465479
_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  0.003366  0.394672  0.294023  1
  Al  Al2  1  1.000781  0.035149  0.322967  1
  Al  Al3  1  0.011428  0.751035  0.270983  1
  Al  Al4  1  0.353105  0.179528  0.289044  1
  Al  Al5  1  0.353173  0.823063  0.314408  1
  Al  Al6  1  0.351790  0.465058  0.338830  1
  Al  Al7  1  0.650321  0.249554  0.330411  1
  Al  Al8  1  0.649432  0.960048  0.280798  1
  Al  Al9  1  0.653859  0.606770  0.303460  1
  Al  Al10  1  0.999887  0.323100  0.372676  1
  Al  Al11  1  1.000576  0.965323  0.398970  1
  Al  Al12  1  0.994504  0.678491  0.347674  1
  Al  Al13  1  0.346321  0.109544  0.364089  1
  Al  Al14  1  0.349415  0.750730  0.390507  1
  Al  Al15  1  0.349122  0.395078  0.415933  1
  Al  Al16  1  0.651453  0.178936  0.407326  1
  Al  Al17  1  0.653520  0.893182  0.355705  1
  Al  Al18  1  0.654912  0.535053  0.380828  1
  Al  Al19  1  1.001149  0.251301  0.450072  1
  Al  Al20  1  1.001305  0.893930  0.475993  1
  Al  Al21  1  1.000698  0.607888  0.424473  1
  Al  Al22  1  0.348109  0.037969  0.441695  1
  Al  Al23  1  0.349237  0.680436  0.467584  1
  Al  Al24  1  0.349296  0.323659  0.493162  1
  Al  Al25  1  0.653245  0.107388  0.484410  1
  Al  Al26  1  0.652894  0.821567  0.433081  1
  Al  Al27  1  0.653587  0.464352  0.458506  1
  Al  Al28  1  1.001688  0.179931  0.527280  1
  Al  Al29  1  0.001850  0.822489  0.553193  1
  Al  Al30  1  1.001520  0.536886  0.501655  1
  Al  Al31  1  0.349805  0.966425  0.518838  1
  Al  Al32  1  0.349565  0.609447  0.544775  1
  Al  Al33  1  0.349896  0.252276  0.570252  1
  Al  Al34  1  0.654823  0.035966  0.561541  1
  Al  Al35  1  0.653756  0.750122  0.510148  1
  Al  Al36  1  0.653728  0.393377  0.535703  1
  Al  Al37  1  0.002952  0.108537  0.604249  1
  Al  Al38  1  0.002768  0.751063  0.630504  1
  Al  Al39  1  0.002468  0.465844  0.578877  1
  Al  Al40  1  0.351347  0.894939  0.595932  1
  Al  Al41  1  0.348803  0.538452  0.622478  1
  Al  Al42  1  0.347888  0.181058  0.648034  1
  Al  Al43  1  0.656182  0.964691  0.639153  1
  Al  Al44  1  0.654148  0.678632  0.587391  1
  Al  Al45  1  0.653016  0.323270  0.612832  1
  Al  Al46  1  0.997749  0.038660  0.680097  1
  Al  Al47  1  1.001468  0.679241  0.708748  1
  Al  Al48  1  0.007620  0.395155  0.655611  1
  Al  Al49  1  0.353929  0.824443  0.672689  1
  Al  Al50  1  0.352026  0.467590  0.698623  1
  Al  Al51  1  0.359322  0.108278  0.720407  1
  Al  Al52  1  0.652568  0.893616  0.714200  1
  Al  Al53  1  0.652890  0.608156  0.664585  1
  Al  Al54  1  0.647521  0.251469  0.688240  1
  Ni  Ni55  1  0.853034  0.172596  0.288843  1
  Ni  Ni56  1  0.853774  0.820074  0.313605  1
  Ni  Ni57  1  0.852283  0.463526  0.337693  1
  Ni  Ni58  1  0.147854  0.253115  0.330012  1
  Ni  Ni59  1  0.149221  0.967884  0.281095  1
  Ni  Ni60  1  0.156075  0.609984  0.305969  1
  Ni  Ni61  1  0.845067  0.108176  0.364859  1
  Ni  Ni62  1  0.847943  0.750493  0.390325  1
  Ni  Ni63  1  0.848399  0.393592  0.415586  1
  Ni  Ni64  1  0.152393  0.180538  0.407166  1
  Ni  Ni65  1  0.154204  0.892559  0.356563  1
  Ni  Ni66  1  0.155463  0.536755  0.381621  1
  Ni  Ni67  1  0.847601  0.036437  0.441676  1
  Ni  Ni68  1  0.848757  0.679063  0.467317  1
  Ni  Ni69  1  0.848771  0.322208  0.492902  1
  Ni  Ni70  1  0.153771  0.108935  0.484486  1
  Ni  Ni71  1  0.153519  0.822685  0.433248  1
  Ni  Ni72  1  0.154155  0.465840  0.458820  1
  Ni  Ni73  1  0.849284  0.964907  0.518777  1
  Ni  Ni74  1  0.849006  0.607888  0.544500  1
  Ni  Ni75  1  0.849209  0.251234  0.570035  1
  Ni  Ni76  1  0.155373  0.037369  0.561559  1
  Ni  Ni77  1  0.154266  0.751597  0.510374  1
  Ni  Ni78  1  0.154210  0.394740  0.536006  1
  Ni  Ni79  1  0.850297  0.893460  0.596059  1
  Ni  Ni80  1  0.848142  0.537080  0.621752  1
  Ni  Ni81  1  0.847720  0.181322  0.646482  1
  Ni  Ni82  1  0.157806  0.966125  0.638405  1
  Ni  Ni83  1  0.154969  0.680158  0.587676  1
  Ni  Ni84  1  0.154902  0.323107  0.613071  1
  Ni  Ni85  1  0.855653  0.820581  0.673133  1
  Ni  Ni86  1  0.852536  0.461640  0.697812  1
  Ni  Ni87  1  0.860634  0.109652  0.721921  1
  Ni  Ni88  1  0.150896  0.899580  0.714017  1
  Ni  Ni89  1  0.151710  0.610598  0.665213  1
  Ni  Ni90  1  0.143127  0.255448  0.690385  1
