# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89061033
_cell_length_b   7.33255020
_cell_length_c   52.14357637
_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   1869.90231938
_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  0.606230  0.754610  0.368837  1
  Al  Al2  1  0.128872  0.559084  0.349796  1
  Al  Al3  1  0.128872  0.950137  0.349796  1
  Al  Al4  1  0.628290  0.449453  0.332073  1
  Al  Al5  1  0.376733  0.561792  0.287700  1
  Al  Al6  1  0.873331  0.059053  0.268186  1
  Al  Al7  1  0.376733  0.947428  0.287700  1
  Al  Al8  1  0.873331  0.450167  0.268186  1
  Al  Al9  1  0.628290  0.059767  0.332073  1
  Al  Al10  1  0.895978  0.754610  0.307347  1
  Al  Al11  1  0.366386  0.254610  0.254716  1
  Al  Al12  1  0.107016  0.254610  0.311931  1
  Al  Al13  1  0.605559  0.754610  0.494151  1
  Al  Al14  1  0.127352  0.560009  0.475091  1
  Al  Al15  1  0.127352  0.949211  0.475091  1
  Al  Al16  1  0.627377  0.449362  0.457132  1
  Al  Al17  1  0.376593  0.559838  0.412400  1
  Al  Al18  1  0.876526  0.060313  0.394312  1
  Al  Al19  1  0.376593  0.949382  0.412400  1
  Al  Al20  1  0.876526  0.448907  0.394312  1
  Al  Al21  1  0.627377  0.059858  0.457132  1
  Al  Al22  1  0.898252  0.754610  0.431441  1
  Al  Al23  1  0.398963  0.254610  0.375500  1
  Al  Al24  1  0.105618  0.254610  0.438010  1
  Al  Al25  1  0.604938  0.754610  0.619382  1
  Al  Al26  1  0.127375  0.560313  0.600571  1
  Al  Al27  1  0.127375  0.948907  0.600571  1
  Al  Al28  1  0.627309  0.449382  0.582482  1
  Al  Al29  1  0.376524  0.559858  0.537751  1
  Al  Al30  1  0.876549  0.060009  0.519792  1
  Al  Al31  1  0.376524  0.949362  0.537751  1
  Al  Al32  1  0.876549  0.449211  0.519792  1
  Al  Al33  1  0.627309  0.059838  0.582482  1
  Al  Al34  1  0.898284  0.754610  0.556873  1
  Al  Al35  1  0.398342  0.254610  0.500732  1
  Al  Al36  1  0.105650  0.254610  0.563442  1
  Al  Al37  1  0.637515  0.754610  0.740167  1
  Al  Al38  1  0.130570  0.559053  0.726696  1
  Al  Al39  1  0.130570  0.950167  0.726696  1
  Al  Al40  1  0.627168  0.447428  0.707183  1
  Al  Al41  1  0.375611  0.559767  0.662810  1
  Al  Al42  1  0.875029  0.059084  0.645087  1
  Al  Al43  1  0.375611  0.949453  0.662810  1
  Al  Al44  1  0.875029  0.450137  0.645087  1
  Al  Al45  1  0.627168  0.061792  0.707183  1
  Al  Al46  1  0.896886  0.754610  0.682951  1
  Al  Al47  1  0.397671  0.254610  0.626046  1
  Al  Al48  1  0.107924  0.254610  0.687536  1
  Ni  Ni49  1  0.063218  0.754610  0.263674  1
  Ni  Ni50  1  0.420275  0.754610  0.324619  1
  Ni  Ni51  1  0.926494  0.254610  0.356867  1
  Ni  Ni52  1  0.595620  0.254610  0.295349  1
  Ni  Ni53  1  0.081393  0.754610  0.387009  1
  Ni  Ni54  1  0.422572  0.754610  0.449687  1
  Ni  Ni55  1  0.922863  0.254610  0.482481  1
  Ni  Ni56  1  0.582089  0.254610  0.419875  1
  Ni  Ni57  1  0.081038  0.754610  0.512401  1
  Ni  Ni58  1  0.421813  0.754610  0.575008  1
  Ni  Ni59  1  0.922508  0.254610  0.607874  1
  Ni  Ni60  1  0.581329  0.254610  0.545196  1
  Ni  Ni61  1  0.077408  0.754610  0.638015  1
  Ni  Ni62  1  0.408281  0.754610  0.699533  1
  Ni  Ni63  1  0.940683  0.254610  0.731208  1
  Ni  Ni64  1  0.583627  0.254610  0.670264  1
