# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97870292
_cell_length_b   15.33765221
_cell_length_c   47.83739494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.51415981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2894.15870509
_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  0.886722  0.793620  0.285294  1
  Al  Al2  1  0.046322  0.111262  0.306962  1
  Al  Al3  1  0.196349  0.414432  0.333219  1
  Al  Al4  1  0.480417  0.980707  0.321976  1
  Al  Al5  1  0.637173  0.295702  0.348873  1
  Al  Al6  1  0.320979  0.662775  0.301047  1
  Al  Al7  1  0.923476  0.866762  0.341699  1
  Al  Al8  1  0.612546  0.239826  0.297021  1
  Al  Al9  1  0.764855  0.550740  0.319267  1
  Al  Al10  1  0.357961  0.736342  0.356549  1
  Al  Al11  1  0.516282  0.052518  0.379307  1
  Al  Al12  1  0.675408  0.371593  0.404649  1
  Al  Al13  1  0.954088  0.928599  0.394461  1
  Al  Al14  1  0.111291  0.243209  0.419754  1
  Al  Al15  1  0.795577  0.611964  0.371348  1
  Al  Al16  1  0.396916  0.813928  0.412577  1
  Al  Al17  1  0.081402  0.182528  0.364551  1
  Al  Al18  1  0.238530  0.497887  0.388587  1
  Al  Al19  1  0.833226  0.686861  0.428050  1
  Al  Al20  1  0.991389  0.002971  0.451390  1
  Al  Al21  1  0.149329  0.319056  0.476120  1
  Al  Al22  1  0.427884  0.876205  0.466737  1
  Al  Al23  1  0.585705  0.191944  0.491215  1
  Al  Al24  1  0.269543  0.559680  0.443345  1
  Al  Al25  1  0.871044  0.762175  0.484430  1
  Al  Al26  1  0.554930  0.129811  0.436232  1
  Al  Al27  1  0.712776  0.445889  0.460903  1
  Al  Al28  1  0.307454  0.635167  0.499796  1
  Al  Al29  1  0.465562  0.951264  0.523188  1
  Al  Al30  1  0.623630  0.267593  0.547909  1
  Al  Al31  1  0.902121  0.824449  0.538443  1
  Al  Al32  1  0.060038  0.140643  0.563033  1
  Al  Al33  1  0.743861  0.508156  0.515107  1
  Al  Al34  1  0.345280  0.710484  0.556278  1
  Al  Al35  1  0.029248  0.078495  0.508093  1
  Al  Al36  1  0.187086  0.394270  0.532607  1
  Al  Al37  1  0.781806  0.583729  0.571595  1
  Al  Al38  1  0.939322  0.898417  0.594613  1
  Al  Al39  1  0.098693  0.217928  0.619827  1
  Al  Al40  1  0.376195  0.772124  0.610926  1
  Al  Al41  1  0.533546  0.087845  0.634613  1
  Al  Al42  1  0.217947  0.456326  0.587017  1
  Al  Al43  1  0.818926  0.657584  0.628694  1
  Al  Al44  1  0.503645  0.027203  0.579464  1
  Al  Al45  1  0.660930  0.341959  0.604991  1
  Al  Al46  1  0.256259  0.532647  0.642857  1
  Al  Al47  1  0.418844  0.856515  0.665930  1
  Al  Al48  1  0.568533  0.158843  0.691986  1
  Al  Al49  1  0.850515  0.720536  0.680023  1
  Al  Al50  1  1.002822  0.031111  0.702163  1
  Al  Al51  1  0.691401  0.403401  0.657580  1
  Al  Al52  1  0.295940  0.611682  0.696502  1
  Al  Al53  1  0.977878  0.974951  0.650268  1
  Al  Al54  1  0.134723  0.290028  0.676169  1
  Ni  Ni55  1  0.400027  0.820093  0.314072  1
  Ni  Ni56  1  0.559043  0.137354  0.336750  1
  Ni  Ni57  1  0.239753  0.500877  0.291266  1
  Ni  Ni58  1  1.003141  0.026228  0.351053  1
  Ni  Ni59  1  0.687168  0.396545  0.305184  1
  Ni  Ni60  1  0.844529  0.709665  0.328890  1
  Ni  Ni61  1  0.874631  0.769501  0.384046  1
  Ni  Ni62  1  0.032904  0.085694  0.407319  1
  Ni  Ni63  1  0.715957  0.453113  0.360610  1
  Ni  Ni64  1  0.475880  0.972092  0.423595  1
  Ni  Ni65  1  0.159043  0.339163  0.377484  1
  Ni  Ni66  1  0.317424  0.655477  0.400475  1
  Ni  Ni67  1  0.348758  0.717738  0.455742  1
  Ni  Ni68  1  0.507035  0.034120  0.479227  1
  Ni  Ni69  1  0.190547  0.401623  0.432120  1
  Ni  Ni70  1  0.950176  0.920669  0.495461  1
  Ni  Ni71  1  0.633633  0.287834  0.448404  1
  Ni  Ni72  1  0.791879  0.604213  0.472076  1
  Ni  Ni73  1  0.822994  0.666051  0.527504  1
  Ni  Ni74  1  0.981276  0.982526  0.550892  1
  Ni  Ni75  1  0.664788  0.349795  0.503852  1
  Ni  Ni76  1  0.424308  0.868631  0.567212  1
  Ni  Ni77  1  0.107937  0.236352  0.520079  1
  Ni  Ni78  1  0.266107  0.552518  0.543854  1
  Ni  Ni79  1  0.297392  0.614686  0.599288  1
  Ni  Ni80  1  0.455892  0.931258  0.621669  1
  Ni  Ni81  1  0.139150  0.298490  0.575690  1
  Ni  Ni82  1  0.898922  0.817204  0.638680  1
  Ni  Ni83  1  0.582103  0.184824  0.591911  1
  Ni  Ni84  1  0.740245  0.500789  0.615460  1
  Ni  Ni85  1  0.769395  0.558773  0.671148  1
  Ni  Ni86  1  0.928118  0.874590  0.693979  1
  Ni  Ni87  1  0.611700  0.243937  0.647951  1
  Ni  Ni88  1  0.376487  0.772129  0.708048  1
  Ni  Ni89  1  0.056049  0.133280  0.662373  1
  Ni  Ni90  1  0.215753  0.451853  0.686080  1
