# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97784350
_cell_length_b   11.66405450
_cell_length_c   49.81445850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.14988997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2277.2090809
_cell_formula_units_Z   15
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  0.355582  0.297436  0.300926  1
  Al  Al2  1  0.987885  0.032970  0.334050  1
  Al  Al3  1  0.714387  0.579782  0.272861  1
  Al  Al4  1  0.933035  0.142530  0.280417  1
  Al  Al5  1  0.566972  0.874414  0.308128  1
  Al  Al6  1  0.203789  0.600902  0.341157  1
  Al  Al7  1  0.411731  0.185381  0.354747  1
  Al  Al8  1  0.143255  0.722060  0.293781  1
  Al  Al9  1  0.775924  0.457013  0.325632  1
  Al  Al10  1  0.261797  0.485123  0.393836  1
  Al  Al11  1  0.898657  0.211411  0.423471  1
  Al  Al12  1  0.626835  0.754976  0.361946  1
  Al  Al13  1  0.840016  0.328422  0.371252  1
  Al  Al14  1  0.476453  0.055615  0.401014  1
  Al  Al15  1  0.112154  0.784200  0.431773  1
  Al  Al16  1  0.321054  0.366857  0.445843  1
  Al  Al17  1  0.048751  0.911467  0.384732  1
  Al  Al18  1  0.684103  0.640697  0.415570  1
  Al  Al19  1  0.170679  0.667406  0.484335  1
  Al  Al20  1  0.807179  0.394417  0.514314  1
  Al  Al21  1  0.534684  0.939389  0.453833  1
  Al  Al22  1  0.748232  0.512067  0.462100  1
  Al  Al23  1  0.385011  0.238526  0.492196  1
  Al  Al24  1  0.021006  0.966592  0.523054  1
  Al  Al25  1  0.229272  0.550476  0.536671  1
  Al  Al26  1  0.957208  0.094555  0.475961  1
  Al  Al27  1  0.592758  0.823492  0.506626  1
  Al  Al28  1  0.078549  0.851766  0.576056  1
  Al  Al29  1  0.717203  0.574469  0.603440  1
  Al  Al30  1  0.443297  0.122197  0.545111  1
  Al  Al31  1  0.656264  0.696068  0.552953  1
  Al  Al32  1  0.293954  0.420706  0.582623  1
  Al  Al33  1  0.929120  0.150273  0.614127  1
  Al  Al34  1  0.136264  0.736630  0.628609  1
  Al  Al35  1  0.866039  0.276945  0.566799  1
  Al  Al36  1  0.502187  0.004613  0.598466  1
  Al  Al37  1  0.994294  0.020190  0.662370  1
  Al  Al38  1  0.611896  0.785151  0.709105  1
  Al  Al39  1  0.350558  0.307663  0.636942  1
  Al  Al40  1  0.570305  0.868239  0.646193  1
  Al  Al41  1  0.202036  0.604981  0.671474  1
  Al  Al42  1  0.823737  0.360354  0.702237  1
  Al  Al43  1  0.028084  0.952670  0.717929  1
  Al  Al44  1  0.772890  0.463468  0.656254  1
  Al  Al45  1  0.406196  0.196425  0.691061  1
  Ni  Ni46  1  0.884135  0.240439  0.326140  1
  Ni  Ni47  1  0.522736  0.963394  0.355968  1
  Ni  Ni48  1  0.251692  0.505284  0.297038  1
  Ni  Ni49  1  0.459145  0.090362  0.309484  1
  Ni  Ni50  1  0.094061  0.820404  0.338144  1
  Ni  Ni51  1  0.818411  0.371605  0.280416  1
  Ni  Ni52  1  0.793834  0.421171  0.417443  1
  Ni  Ni53  1  0.430219  0.148406  0.447331  1
  Ni  Ni54  1  0.157011  0.694733  0.386862  1
  Ni  Ni55  1  0.366890  0.274818  0.399647  1
  Ni  Ni56  1  0.003321  1.002001  0.429666  1
  Ni  Ni57  1  0.730735  0.547129  0.369910  1
  Ni  Ni58  1  0.702222  0.604440  0.508277  1
  Ni  Ni59  1  0.338838  0.331220  0.538081  1
  Ni  Ni60  1  0.065999  0.876875  0.478018  1
  Ni  Ni61  1  0.275469  0.457717  0.490522  1
  Ni  Ni62  1  0.912070  0.184540  0.520787  1
  Ni  Ni63  1  0.639128  0.730386  0.460439  1
  Ni  Ni64  1  0.611434  0.786132  0.599721  1
  Ni  Ni65  1  0.246970  0.515087  0.627381  1
  Ni  Ni66  1  0.974543  0.059809  0.569341  1
  Ni  Ni67  1  0.182906  0.642921  0.581414  1
  Ni  Ni68  1  0.821516  0.365683  0.611541  1
  Ni  Ni69  1  0.547669  0.913406  0.551787  1
  Ni  Ni70  1  0.515157  0.978528  0.688634  1
  Ni  Ni71  1  0.169101  0.671007  0.717148  1
  Ni  Ni72  1  0.885129  0.238573  0.660890  1
  Ni  Ni73  1  0.095911  0.817150  0.677072  1
  Ni  Ni74  1  0.718218  0.572887  0.699091  1
  Ni  Ni75  1  0.454411  0.099790  0.643258  1
