# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99743274
_cell_length_b   10.63602324
_cell_length_c   49.15346467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.14763272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2052.47170013
_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  0.185592  0.583233  0.272268  1
  Al  Al2  1  0.973349  0.008038  0.303493  1
  Al  Al3  1  0.573558  0.807399  0.313447  1
  Al  Al4  1  0.789868  0.374747  0.280398  1
  Al  Al5  1  0.160745  0.633009  0.327937  1
  Al  Al6  1  0.379766  0.195077  0.293251  1
  Al  Al7  1  0.758448  0.437607  0.336850  1
  Al  Al8  1  0.533168  0.888194  0.369404  1
  Al  Al9  1  0.126635  0.701256  0.381311  1
  Al  Al10  1  0.349924  0.254735  0.347405  1
  Al  Al11  1  0.716043  0.522429  0.392493  1
  Al  Al12  1  0.938368  0.077887  0.359035  1
  Al  Al13  1  0.310554  0.333423  0.403632  1
  Al  Al14  1  0.087240  0.780023  0.436946  1
  Al  Al15  1  0.682001  0.590496  0.447582  1
  Al  Al16  1  0.904874  0.144761  0.414421  1
  Al  Al17  1  0.270947  0.412605  0.459633  1
  Al  Al18  1  0.493467  0.967576  0.425891  1
  Al  Al19  1  0.865249  0.223995  0.470452  1
  Al  Al20  1  0.643074  0.668330  0.503861  1
  Al  Al21  1  0.237405  0.479665  0.514685  1
  Al  Al22  1  0.459851  0.034784  0.481090  1
  Al  Al23  1  0.826264  0.301947  0.526612  1
  Al  Al24  1  0.048689  0.857107  0.493095  1
  Al  Al25  1  0.420862  0.112746  0.537238  1
  Al  Al26  1  0.198339  0.557777  0.570923  1
  Al  Al27  1  0.792474  0.369498  0.581749  1
  Al  Al28  1  0.015125  0.924208  0.548064  1
  Al  Al29  1  0.381193  0.192069  0.593197  1
  Al  Al30  1  0.603992  0.746474  0.560112  1
  Al  Al31  1  0.976131  0.002169  0.604064  1
  Al  Al32  1  0.753327  0.447761  0.638093  1
  Al  Al33  1  0.347906  0.258528  0.648470  1
  Al  Al34  1  0.570307  0.813849  0.615203  1
  Al  Al35  1  0.936405  0.081570  0.659974  1
  Al  Al36  1  0.159482  0.635476  0.627038  1
  Al  Al37  1  0.527902  0.898671  0.670357  1
  Al  Al38  1  0.313323  0.327587  0.703772  1
  Al  Al39  1  0.905726  0.142961  0.713852  1
  Al  Al40  1  0.125190  0.703907  0.681017  1
  Al  Al41  1  0.493890  0.966813  0.725861  1
  Al  Al42  1  0.712886  0.528611  0.693499  1
  Ni  Ni43  1  0.686009  0.582458  0.300083  1
  Ni  Ni44  1  0.463741  0.027227  0.329743  1
  Ni  Ni45  1  0.491362  0.972106  0.279453  1
  Ni  Ni46  1  0.265813  0.422849  0.308419  1
  Ni  Ni47  1  0.241402  0.471701  0.364128  1
  Ni  Ni48  1  0.017690  0.919136  0.397052  1
  Ni  Ni49  1  0.046190  0.862132  0.341756  1
  Ni  Ni50  1  0.825833  0.302897  0.376587  1
  Ni  Ni51  1  0.795657  0.363200  0.430829  1
  Ni  Ni52  1  0.573199  0.808096  0.464268  1
  Ni  Ni53  1  0.602195  0.750121  0.409467  1
  Ni  Ni54  1  0.380065  0.194372  0.443169  1
  Ni  Ni55  1  0.350900  0.252683  0.497760  1
  Ni  Ni56  1  0.128600  0.697268  0.531275  1
  Ni  Ni57  1  0.157488  0.639513  0.476448  1
  Ni  Ni58  1  0.935181  0.084118  0.509933  1
  Ni  Ni59  1  0.906111  0.142241  0.564581  1
  Ni  Ni60  1  0.683735  0.586979  0.598398  1
  Ni  Ni61  1  0.712808  0.528850  0.543504  1
  Ni  Ni62  1  0.490453  0.973538  0.576868  1
  Ni  Ni63  1  0.460288  0.033821  0.630893  1
  Ni  Ni64  1  0.239908  0.474601  0.665759  1
  Ni  Ni65  1  0.268164  0.418106  0.610593  1
  Ni  Ni66  1  0.045521  0.863445  0.643832  1
  Ni  Ni67  1  0.019832  0.914884  0.698747  1
  Ni  Ni68  1  0.794878  0.364389  0.727572  1
  Ni  Ni69  1  0.822600  0.309057  0.677571  1
  Ni  Ni70  1  0.598735  0.756722  0.707666  1
