# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78720235
_cell_length_b   7.54080009
_cell_length_c   52.44012144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al48 Ni16'
_cell_volume   1893.05356055
_cell_formula_units_Z   16
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  0.600241  0.754586  0.368499  1
  Al  Al2  1  0.120467  0.555598  0.347766  1
  Al  Al3  1  0.120467  0.953573  0.347766  1
  Al  Al4  1  0.622913  0.455660  0.330645  1
  Al  Al5  1  0.376176  0.556336  0.287104  1
  Al  Al6  1  0.868540  0.055551  0.268383  1
  Al  Al7  1  0.376176  0.952835  0.287104  1
  Al  Al8  1  0.868540  0.453620  0.268383  1
  Al  Al9  1  0.622913  0.053511  0.330645  1
  Al  Al10  1  0.898781  0.754586  0.306191  1
  Al  Al11  1  0.349915  0.254586  0.254780  1
  Al  Al12  1  0.101684  0.254586  0.309182  1
  Al  Al13  1  0.600057  0.754586  0.494177  1
  Al  Al14  1  0.120992  0.556649  0.473881  1
  Al  Al15  1  0.120992  0.952522  0.473881  1
  Al  Al16  1  0.621126  0.452597  0.455920  1
  Al  Al17  1  0.387473  0.556214  0.411057  1
  Al  Al18  1  0.887777  0.056433  0.392743  1
  Al  Al19  1  0.387473  0.952957  0.411057  1
  Al  Al20  1  0.887777  0.452738  0.392743  1
  Al  Al21  1  0.621126  0.056574  0.455920  1
  Al  Al22  1  0.909030  0.754586  0.431124  1
  Al  Al23  1  0.409844  0.254586  0.372764  1
  Al  Al24  1  0.100478  0.254586  0.435591  1
  Al  Al25  1  0.599616  0.754586  0.619958  1
  Al  Al26  1  0.121682  0.556433  0.599978  1
  Al  Al27  1  0.121682  0.952738  0.599978  1
  Al  Al28  1  0.621987  0.452957  0.581665  1
  Al  Al29  1  0.388333  0.556574  0.536802  1
  Al  Al30  1  0.888468  0.056649  0.518840  1
  Al  Al31  1  0.388333  0.952597  0.536802  1
  Al  Al32  1  0.888468  0.452522  0.518840  1
  Al  Al33  1  0.621987  0.056214  0.581665  1
  Al  Al34  1  0.908981  0.754586  0.557130  1
  Al  Al35  1  0.409402  0.254586  0.498544  1
  Al  Al36  1  0.100430  0.254586  0.561597  1
  Al  Al37  1  0.659545  0.754586  0.737941  1
  Al  Al38  1  0.140919  0.555551  0.724339  1
  Al  Al39  1  0.140919  0.953620  0.724339  1
  Al  Al40  1  0.633284  0.452835  0.705617  1
  Al  Al41  1  0.386547  0.553511  0.662076  1
  Al  Al42  1  0.888993  0.055598  0.644955  1
  Al  Al43  1  0.386547  0.955660  0.662076  1
  Al  Al44  1  0.888993  0.453573  0.644955  1
  Al  Al45  1  0.633284  0.056336  0.705617  1
  Al  Al46  1  0.907776  0.754586  0.683540  1
  Al  Al47  1  0.409218  0.254586  0.624222  1
  Al  Al48  1  0.110678  0.254586  0.686531  1
  Ni  Ni49  1  0.071634  0.754586  0.261803  1
  Ni  Ni50  1  0.417860  0.754586  0.323698  1
  Ni  Ni51  1  0.926091  0.254586  0.354703  1
  Ni  Ni52  1  0.593347  0.254586  0.294736  1
  Ni  Ni53  1  0.087457  0.754586  0.385845  1
  Ni  Ni54  1  0.423622  0.754586  0.448963  1
  Ni  Ni55  1  0.923742  0.254586  0.480835  1
  Ni  Ni56  1  0.587208  0.254586  0.417915  1
  Ni  Ni57  1  0.085717  0.754586  0.511886  1
  Ni  Ni58  1  0.422252  0.754586  0.574806  1
  Ni  Ni59  1  0.922003  0.254586  0.606876  1
  Ni  Ni60  1  0.585838  0.254586  0.543758  1
  Ni  Ni61  1  0.083369  0.754586  0.638018  1
  Ni  Ni62  1  0.416112  0.754586  0.697985  1
  Ni  Ni63  1  0.937825  0.254586  0.730919  1
  Ni  Ni64  1  0.591599  0.254586  0.669023  1
