# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76710129
_cell_length_b   9.80596248
_cell_length_c   53.14771989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al30 Ni50'
_cell_volume   1963.27963838
_cell_formula_units_Z   10
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  0.001500  0.020132  0.328683  1
  Al  Al2  1  0.501500  0.858939  0.304044  1
  Al  Al3  1  0.501500  0.179731  0.353264  1
  Al  Al4  1  0.001500  0.520132  0.328683  1
  Al  Al5  1  0.501500  0.358939  0.304044  1
  Al  Al6  1  0.501500  0.679731  0.353264  1
  Al  Al7  1  0.001500  0.608716  0.419481  1
  Al  Al8  1  0.501500  0.448552  0.394760  1
  Al  Al9  1  0.501500  0.768918  0.444270  1
  Al  Al10  1  0.001500  0.108716  0.419481  1
  Al  Al11  1  0.501500  0.948552  0.394760  1
  Al  Al12  1  0.501500  0.268918  0.444270  1
  Al  Al13  1  0.001500  0.197358  0.510430  1
  Al  Al14  1  0.501500  0.037144  0.485696  1
  Al  Al15  1  0.501500  0.357604  0.535198  1
  Al  Al16  1  0.001500  0.697358  0.510430  1
  Al  Al17  1  0.501500  0.537144  0.485696  1
  Al  Al18  1  0.501500  0.857604  0.535198  1
  Al  Al19  1  0.001500  0.786070  0.601332  1
  Al  Al20  1  0.501500  0.625703  0.576617  1
  Al  Al21  1  0.501500  0.946125  0.626144  1
  Al  Al22  1  0.001500  0.286070  0.601332  1
  Al  Al23  1  0.501500  0.125703  0.576617  1
  Al  Al24  1  0.501500  0.446125  0.626144  1
  Al  Al25  1  0.001500  0.377958  0.691971  1
  Al  Al26  1  0.501500  0.214078  0.667187  1
  Al  Al27  1  0.501500  0.529441  0.717459  1
  Al  Al28  1  0.001500  0.877958  0.691971  1
  Al  Al29  1  0.501500  0.714078  0.667187  1
  Al  Al30  1  0.501500  0.029441  0.717459  1
  Ni  Ni31  1  0.001500  0.228270  0.283653  1
  Ni  Ni32  1  0.001500  0.479911  0.283350  1
  Ni  Ni33  1  0.001500  0.769308  0.328973  1
  Ni  Ni34  1  0.501500  0.925057  0.349438  1
  Ni  Ni35  1  0.501500  0.112957  0.306996  1
  Ni  Ni36  1  0.001500  0.728270  0.283653  1
  Ni  Ni37  1  0.001500  0.979911  0.283350  1
  Ni  Ni38  1  0.001500  0.269308  0.328973  1
  Ni  Ni39  1  0.501500  0.425057  0.349438  1
  Ni  Ni40  1  0.501500  0.612957  0.306996  1
  Ni  Ni41  1  0.001500  0.814430  0.374165  1
  Ni  Ni42  1  0.001500  0.064500  0.373980  1
  Ni  Ni43  1  0.001500  0.358702  0.419555  1
  Ni  Ni44  1  0.501500  0.514371  0.440375  1
  Ni  Ni45  1  0.501500  0.703038  0.398640  1
  Ni  Ni46  1  0.001500  0.314430  0.374165  1
  Ni  Ni47  1  0.001500  0.564500  0.373980  1
  Ni  Ni48  1  0.001500  0.858702  0.419555  1
  Ni  Ni49  1  0.501500  0.014371  0.440375  1
  Ni  Ni50  1  0.501500  0.203038  0.398640  1
  Ni  Ni51  1  0.001500  0.403046  0.464999  1
  Ni  Ni52  1  0.001500  0.653043  0.464962  1
  Ni  Ni53  1  0.001500  0.947354  0.510463  1
  Ni  Ni54  1  0.501500  0.103011  0.531309  1
  Ni  Ni55  1  0.501500  0.291717  0.489581  1
  Ni  Ni56  1  0.001500  0.903046  0.464999  1
  Ni  Ni57  1  0.001500  0.153043  0.464962  1
  Ni  Ni58  1  0.001500  0.447354  0.510463  1
  Ni  Ni59  1  0.501500  0.603011  0.531309  1
  Ni  Ni60  1  0.501500  0.791717  0.489581  1
  Ni  Ni61  1  0.001500  0.991683  0.555943  1
  Ni  Ni62  1  0.001500  0.241693  0.555884  1
  Ni  Ni63  1  0.001500  0.535967  0.601459  1
  Ni  Ni64  1  0.501500  0.691359  0.622157  1
  Ni  Ni65  1  0.501500  0.880330  0.580510  1
  Ni  Ni66  1  0.001500  0.491683  0.555943  1
  Ni  Ni67  1  0.001500  0.741693  0.555884  1
  Ni  Ni68  1  0.001500  0.035967  0.601459  1
  Ni  Ni69  1  0.501500  0.191359  0.622157  1
  Ni  Ni70  1  0.501500  0.380330  0.580510  1
  Ni  Ni71  1  0.001500  0.580044  0.647105  1
  Ni  Ni72  1  0.001500  0.830172  0.646798  1
  Ni  Ni73  1  0.001500  0.127599  0.692730  1
  Ni  Ni74  1  0.501500  0.275456  0.712863  1
  Ni  Ni75  1  0.501500  0.469335  0.671281  1
  Ni  Ni76  1  0.001500  0.080044  0.647105  1
  Ni  Ni77  1  0.001500  0.330172  0.646798  1
  Ni  Ni78  1  0.001500  0.627599  0.692730  1
  Ni  Ni79  1  0.501500  0.775456  0.712863  1
  Ni  Ni80  1  0.501500  0.969335  0.671281  1
