# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03523205
_cell_length_b   9.20640634
_cell_length_c   50.38493302
_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   'Al60 Ni20'
_cell_volume   2799.52788581
_cell_formula_units_Z   20
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  1.001066  0.054654  0.341607  1
  Al  Al2  1  0.231071  0.401343  0.308751  1
  Al  Al3  1  0.205734  0.784665  0.358768  1
  Al  Al4  1  0.327441  0.284665  0.358768  1
  Al  Al5  1  0.702057  0.430198  0.294549  1
  Al  Al6  1  0.831118  0.930198  0.294549  1
  Al  Al7  1  0.670779  0.843466  0.343329  1
  Al  Al8  1  0.862396  0.343466  0.343329  1
  Al  Al9  1  0.302105  0.901343  0.308751  1
  Al  Al10  1  0.563507  0.152788  0.317470  1
  Al  Al11  1  0.969669  0.652788  0.317470  1
  Al  Al12  1  0.532110  0.554654  0.341607  1
  Al  Al13  1  0.029000  0.778352  0.423186  1
  Al  Al14  1  0.194241  0.086475  0.395293  1
  Al  Al15  1  0.198735  0.497456  0.443277  1
  Al  Al16  1  0.334441  0.997456  0.443277  1
  Al  Al17  1  0.688214  0.143461  0.377661  1
  Al  Al18  1  0.844962  0.643461  0.377661  1
  Al  Al19  1  0.702564  0.556505  0.425905  1
  Al  Al20  1  0.830612  0.056505  0.425905  1
  Al  Al21  1  0.338935  0.586475  0.395293  1
  Al  Al22  1  0.522243  0.864331  0.397928  1
  Al  Al23  1  1.010933  0.364331  0.397928  1
  Al  Al24  1  0.504176  0.278352  0.423186  1
  Al  Al25  1  0.027131  0.492716  0.506698  1
  Al  Al26  1  0.199608  0.799849  0.478730  1
  Al  Al27  1  0.199584  0.211662  0.526848  1
  Al  Al28  1  0.333592  0.711662  0.526848  1
  Al  Al29  1  0.699584  0.858960  0.461495  1
  Al  Al30  1  0.833592  0.358960  0.461495  1
  Al  Al31  1  0.699608  0.270773  0.509612  1
  Al  Al32  1  0.833568  0.770773  0.509612  1
  Al  Al33  1  0.333568  0.299849  0.478730  1
  Al  Al34  1  0.527131  0.577906  0.481645  1
  Al  Al35  1  1.006044  0.077906  0.481645  1
  Al  Al36  1  0.506044  0.992716  0.506698  1
  Al  Al37  1  0.022243  0.206291  0.590414  1
  Al  Al38  1  0.202564  0.514118  0.562437  1
  Al  Al39  1  0.188214  0.927161  0.610682  1
  Al  Al40  1  0.344962  0.427161  0.610682  1
  Al  Al41  1  0.698735  0.573166  0.545065  1
  Al  Al42  1  0.834441  0.073166  0.545065  1
  Al  Al43  1  0.694241  0.984147  0.593049  1
  Al  Al44  1  0.838935  0.484147  0.593049  1
  Al  Al45  1  0.330612  0.014118  0.562437  1
  Al  Al46  1  0.529000  0.292270  0.565156  1
  Al  Al47  1  1.004176  0.792270  0.565156  1
  Al  Al48  1  0.510933  0.706291  0.590414  1
  Al  Al49  1  0.063507  0.917834  0.670872  1
  Al  Al50  1  0.170779  0.227156  0.645013  1
  Al  Al51  1  0.202057  0.640424  0.693793  1
  Al  Al52  1  0.331118  0.140424  0.693793  1
  Al  Al53  1  0.705734  0.285957  0.629574  1
  Al  Al54  1  0.827441  0.785957  0.629574  1
  Al  Al55  1  0.731071  0.669279  0.679592  1
  Al  Al56  1  0.802105  0.169279  0.679592  1
  Al  Al57  1  0.362396  0.727156  0.645013  1
  Al  Al58  1  0.501066  0.015968  0.646735  1
  Al  Al59  1  0.032110  0.515968  0.646735  1
  Al  Al60  1  0.469669  0.417834  0.670872  1
  Ni  Ni61  1  0.950757  0.201146  0.300849  1
  Ni  Ni62  1  0.386185  0.016865  0.354584  1
  Ni  Ni63  1  0.146991  0.516865  0.354584  1
  Ni  Ni64  1  0.582418  0.701146  0.300849  1
  Ni  Ni65  1  0.901614  0.913465  0.382947  1
  Ni  Ni66  1  0.406310  0.724921  0.438704  1
  Ni  Ni67  1  0.126866  0.224921  0.438704  1
  Ni  Ni68  1  0.631562  0.413465  0.382947  1
  Ni  Ni69  1  0.904557  0.631048  0.466169  1
  Ni  Ni70  1  0.404557  0.439574  0.522173  1
  Ni  Ni71  1  0.128619  0.939574  0.522173  1
  Ni  Ni72  1  0.628619  0.131048  0.466169  1
  Ni  Ni73  1  0.906310  0.345701  0.549638  1
  Ni  Ni74  1  0.401614  0.157157  0.605396  1
  Ni  Ni75  1  0.131562  0.657157  0.605396  1
  Ni  Ni76  1  0.626866  0.845701  0.549638  1
  Ni  Ni77  1  0.886185  0.053757  0.633759  1
  Ni  Ni78  1  0.450757  0.869476  0.687494  1
  Ni  Ni79  1  0.082418  0.369476  0.687494  1
  Ni  Ni80  1  0.646991  0.553757  0.633759  1
