# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93571175
_cell_length_b   10.53206198
_cell_length_c   49.22722706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.15524083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2004.08304085
_cell_formula_units_Z   14
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  0.110805  0.788710  0.276204  1
  Al  Al2  1  0.895608  0.221109  0.312418  1
  Al  Al3  1  0.709705  0.592006  0.287075  1
  Al  Al4  1  0.487936  0.035827  0.323029  1
  Al  Al5  1  0.514304  0.979324  0.268981  1
  Al  Al6  1  0.296209  0.419325  0.302697  1
  Al  Al7  1  0.672523  0.666285  0.344453  1
  Al  Al8  1  0.446575  0.118308  0.379003  1
  Al  Al9  1  0.265117  0.481305  0.355504  1
  Al  Al10  1  0.043072  0.925094  0.389253  1
  Al  Al11  1  0.073570  0.864019  0.335167  1
  Al  Al12  1  0.850751  0.310193  0.368204  1
  Al  Al13  1  0.223756  0.563750  0.411812  1
  Al  Al14  1  1.001303  0.008484  0.445405  1
  Al  Al15  1  0.819997  0.371222  0.422187  1
  Al  Al16  1  0.597440  0.816157  0.455578  1
  Al  Al17  1  0.628181  0.754882  0.401272  1
  Al  Al18  1  0.405432  0.200349  0.435036  1
  Al  Al19  1  0.778550  0.453918  0.478480  1
  Al  Al20  1  0.556141  0.898561  0.511983  1
  Al  Al21  1  0.374612  0.261724  0.488844  1
  Al  Al22  1  0.152002  0.706787  0.522268  1
  Al  Al23  1  0.182689  0.645692  0.468195  1
  Al  Al24  1  0.960079  0.090755  0.501620  1
  Al  Al25  1  0.333387  0.343995  0.545059  1
  Al  Al26  1  0.110934  0.788729  0.578651  1
  Al  Al27  1  0.929259  0.152130  0.555427  1
  Al  Al28  1  0.706510  0.597597  0.589191  1
  Al  Al29  1  0.737251  0.536322  0.534885  1
  Al  Al30  1  0.514694  0.981257  0.568276  1
  Al  Al31  1  0.888116  0.234171  0.611461  1
  Al  Al32  1  0.662168  0.686194  0.646010  1
  Al  Al33  1  0.483940  0.042286  0.622259  1
  Al  Al34  1  0.261121  0.488460  0.655297  1
  Al  Al35  1  0.291619  0.427385  0.601210  1
  Al  Al36  1  0.069574  0.871174  0.634959  1
  Al  Al37  1  0.439083  0.131370  0.678045  1
  Al  Al38  1  0.223885  0.563769  0.714259  1
  Al  Al39  1  0.038482  0.933154  0.687766  1
  Al  Al40  1  0.820387  0.373155  0.721482  1
  Al  Al41  1  0.846755  0.316652  0.667434  1
  Al  Al42  1  0.624986  0.760473  0.703388  1
  Ni  Ni43  1  0.598779  0.813202  0.306499  1
  Ni  Ni44  1  0.826766  0.358381  0.273136  1
  Ni  Ni45  1  0.183210  0.644999  0.316860  1
  Ni  Ni46  1  0.405666  0.201490  0.284401  1
  Ni  Ni47  1  0.154001  0.703166  0.372257  1
  Ni  Ni48  1  0.376863  0.258144  0.339770  1
  Ni  Ni49  1  0.739610  0.532262  0.384565  1
  Ni  Ni50  1  0.962764  0.086182  0.351995  1
  Ni  Ni51  1  0.708470  0.594119  0.439127  1
  Ni  Ni52  1  0.931310  0.148606  0.406111  1
  Ni  Ni53  1  0.294061  0.423101  0.451149  1
  Ni  Ni54  1  0.517069  0.977148  0.418112  1
  Ni  Ni55  1  0.263111  0.484589  0.505822  1
  Ni  Ni56  1  0.485995  0.038906  0.472684  1
  Ni  Ni57  1  0.848696  0.313573  0.517779  1
  Ni  Ni58  1  0.071580  0.867890  0.484641  1
  Ni  Ni59  1  0.817622  0.375331  0.572351  1
  Ni  Ni60  1  0.040630  0.929378  0.539314  1
  Ni  Ni61  1  0.403381  0.203873  0.584352  1
  Ni  Ni62  1  0.626220  0.758360  0.551336  1
  Ni  Ni63  1  0.371926  0.266297  0.638468  1
  Ni  Ni64  1  0.595081  0.820218  0.605898  1
  Ni  Ni65  1  0.957827  0.094335  0.650693  1
  Ni  Ni66  1  0.180690  0.649313  0.618206  1
  Ni  Ni67  1  0.929025  0.150989  0.706062  1
  Ni  Ni68  1  0.151481  0.707480  0.673603  1
  Ni  Ni69  1  0.507925  0.994098  0.717327  1
  Ni  Ni70  1  0.735912  0.539277  0.683964  1
