# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94577823
_cell_length_b   6.34893563
_cell_length_c   46.91707809
_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   'Al42 Ni28'
_cell_volume   2068.9633317
_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  0.023860  0.485259  0.277216  1
  Al  Al2  1  0.503266  0.165686  0.297754  1
  Al  Al3  1  0.372802  0.577508  0.299350  1
  Al  Al4  1  0.831640  0.401393  0.327702  1
  Al  Al5  1  0.147169  0.930151  0.283656  1
  Al  Al6  1  0.708975  0.792943  0.310197  1
  Al  Al7  1  0.003154  0.999533  0.337086  1
  Al  Al8  1  0.505410  0.785423  0.368223  1
  Al  Al9  1  0.339512  0.205782  0.358573  1
  Al  Al10  1  0.833933  0.005558  0.392185  1
  Al  Al11  1  0.164809  0.585326  0.345311  1
  Al  Al12  1  0.669215  0.383676  0.379379  1
  Al  Al13  1  1.002496  0.595607  0.402846  1
  Al  Al14  1  0.502440  0.396726  0.436249  1
  Al  Al15  1  0.336185  0.804846  0.425933  1
  Al  Al16  1  0.834587  0.605856  0.459392  1
  Al  Al17  1  0.169858  0.185646  0.412929  1
  Al  Al18  1  0.669922  0.986834  0.446502  1
  Al  Al19  1  1.001838  0.196659  0.469663  1
  Al  Al20  1  0.501556  0.997811  0.503256  1
  Al  Al21  1  0.334226  0.406807  0.492993  1
  Al  Al22  1  0.833590  0.207746  0.526469  1
  Al  Al23  1  0.169466  0.787913  0.480025  1
  Al  Al24  1  0.668800  0.588983  0.513505  1
  Al  Al25  1  1.001182  0.799115  0.536827  1
  Al  Al26  1  0.500717  0.599232  0.570319  1
  Al  Al27  1  0.333136  0.008903  0.559972  1
  Al  Al28  1  0.832996  0.809672  0.593666  1
  Al  Al29  1  0.168383  0.389853  0.547074  1
  Al  Al30  1  0.667222  0.191050  0.580602  1
  Al  Al31  1  0.999988  0.400439  0.603622  1
  Al  Al32  1  0.498803  0.206592  0.637848  1
  Al  Al33  1  0.335146  0.611122  0.627185  1
  Al  Al34  1  0.834701  0.411019  0.660696  1
  Al  Al35  1  0.169103  0.989129  0.614274  1
  Al  Al36  1  0.667286  0.789875  0.648600  1
  Al  Al37  1  1.000199  0.999115  0.669359  1
  Al  Al38  1  0.505185  0.821444  0.707259  1
  Al  Al39  1  0.317188  0.207958  0.694065  1
  Al  Al40  1  0.853550  0.052410  0.722894  1
  Al  Al41  1  0.163973  0.595688  0.678212  1
  Al  Al42  1  0.647184  0.416537  0.710656  1
  Ni  Ni43  1  0.343802  0.901588  0.326572  1
  Ni  Ni44  1  0.854696  0.130103  0.291806  1
  Ni  Ni45  1  0.174762  0.269995  0.313027  1
  Ni  Ni46  1  0.680493  0.474821  0.280441  1
  Ni  Ni47  1  0.335031  0.502384  0.392549  1
  Ni  Ni48  1  0.838469  0.704751  0.359259  1
  Ni  Ni49  1  0.172440  0.885051  0.379550  1
  Ni  Ni50  1  0.664878  0.083252  0.344786  1
  Ni  Ni51  1  0.335942  0.104867  0.459545  1
  Ni  Ni52  1  0.835855  0.303698  0.425925  1
  Ni  Ni53  1  0.168673  0.488042  0.446434  1
  Ni  Ni54  1  0.668781  0.687622  0.412692  1
  Ni  Ni55  1  0.335009  0.706544  0.526626  1
  Ni  Ni56  1  0.835511  0.905482  0.493066  1
  Ni  Ni57  1  0.167548  0.090200  0.513411  1
  Ni  Ni58  1  0.668094  0.289104  0.479890  1
  Ni  Ni59  1  0.333891  0.308044  0.593746  1
  Ni  Ni60  1  0.834261  0.507778  0.560040  1
  Ni  Ni61  1  0.167204  0.691763  0.580547  1
  Ni  Ni62  1  0.667196  0.890910  0.546988  1
  Ni  Ni63  1  0.339267  0.910108  0.661254  1
  Ni  Ni64  1  0.831443  0.109832  0.626986  1
  Ni  Ni65  1  0.165097  0.291144  0.646787  1
  Ni  Ni66  1  0.667624  0.493984  0.614081  1
  Ni  Ni67  1  0.307245  0.520618  0.724508  1
  Ni  Ni68  1  0.838162  0.718963  0.694540  1
  Ni  Ni69  1  0.160957  0.881711  0.713027  1
  Ni  Ni70  1  0.661995  0.098552  0.680080  1
