# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73032403
_cell_length_b   8.51811988
_cell_length_c   49.23574603
_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   1983.87891816
_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  0.446095  0.746968  0.373586  1
  Al  Al2  1  0.762060  0.498689  0.312721  1
  Al  Al3  1  0.762060  0.995248  0.312721  1
  Al  Al4  1  0.778913  0.488446  0.368425  1
  Al  Al5  1  0.304220  0.580986  0.282294  1
  Al  Al6  1  0.282234  0.006922  0.341844  1
  Al  Al7  1  0.304220  0.912951  0.282294  1
  Al  Al8  1  0.282234  0.487015  0.341844  1
  Al  Al9  1  0.778913  0.005491  0.368425  1
  Al  Al10  1  0.955721  0.746968  0.342967  1
  Al  Al11  1  0.579905  0.246968  0.287451  1
  Al  Al12  1  0.092625  0.246968  0.314292  1
  Al  Al13  1  0.437621  0.746968  0.482728  1
  Al  Al14  1  0.741556  0.502896  0.424439  1
  Al  Al15  1  0.741556  0.991041  0.424439  1
  Al  Al16  1  0.778591  0.490215  0.480209  1
  Al  Al17  1  0.241273  0.500807  0.398157  1
  Al  Al18  1  0.278604  0.003937  0.453897  1
  Al  Al19  1  0.241273  0.993130  0.398157  1
  Al  Al20  1  0.278604  0.490000  0.453897  1
  Al  Al21  1  0.778591  0.003722  0.480209  1
  Al  Al22  1  0.936830  0.746968  0.451044  1
  Al  Al23  1  0.583503  0.246968  0.394826  1
  Al  Al24  1  0.082140  0.246968  0.427397  1
  Al  Al25  1  0.436977  0.746968  0.594885  1
  Al  Al26  1  0.741876  0.503937  0.535814  1
  Al  Al27  1  0.741876  0.990000  0.535814  1
  Al  Al28  1  0.779207  0.493130  0.591554  1
  Al  Al29  1  0.241889  0.503722  0.509502  1
  Al  Al30  1  0.278923  0.002896  0.565271  1
  Al  Al31  1  0.241889  0.990215  0.509502  1
  Al  Al32  1  0.278923  0.491041  0.565271  1
  Al  Al33  1  0.779207  0.000807  0.591554  1
  Al  Al34  1  0.938340  0.746968  0.562313  1
  Al  Al35  1  0.582859  0.246968  0.506983  1
  Al  Al36  1  0.083649  0.246968  0.538666  1
  Al  Al37  1  0.440574  0.746968  0.702260  1
  Al  Al38  1  0.738245  0.506922  0.647866  1
  Al  Al39  1  0.738245  0.987015  0.647866  1
  Al  Al40  1  0.716260  0.412951  0.707417  1
  Al  Al41  1  0.241567  0.505491  0.621286  1
  Al  Al42  1  0.258420  -0.001311  0.676990  1
  Al  Al43  1  0.241567  0.988446  0.621286  1
  Al  Al44  1  0.258420  0.495248  0.676990  1
  Al  Al45  1  0.716260  0.080986  0.707417  1
  Al  Al46  1  0.927854  0.746968  0.675419  1
  Al  Al47  1  0.574385  0.246968  0.616125  1
  Al  Al48  1  0.064759  0.246968  0.646744  1
  Ni  Ni49  1  0.453705  0.746968  0.321487  1
  Ni  Ni50  1  0.882224  0.746968  0.292061  1
  Ni  Ni51  1  0.602373  0.246968  0.341393  1
  Ni  Ni52  1  0.100146  0.246968  0.368478  1
  Ni  Ni53  1  0.421269  0.746968  0.425470  1
  Ni  Ni54  1  0.927230  0.746968  0.398000  1
  Ni  Ni55  1  0.599129  0.246968  0.453670  1
  Ni  Ni56  1  0.099364  0.246968  0.480548  1
  Ni  Ni57  1  0.421351  0.746968  0.536041  1
  Ni  Ni58  1  0.921115  0.746968  0.509163  1
  Ni  Ni59  1  0.599211  0.246968  0.564240  1
  Ni  Ni60  1  0.093250  0.246968  0.591710  1
  Ni  Ni61  1  0.418107  0.746968  0.648318  1
  Ni  Ni62  1  0.920334  0.746968  0.621233  1
  Ni  Ni63  1  0.566774  0.246968  0.668224  1
  Ni  Ni64  1  0.138255  0.246968  0.697649  1
