# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33069639
_cell_length_b   6.18957190
_cell_length_c   49.52799740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.50299507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1806.41918235
_cell_formula_units_Z   36
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
  Fe  Fe1  1  0.214917  0.928402  0.325396  1
  Fe  Fe2  1  0.714917  0.928402  0.325396  1
  Fe  Fe3  1  0.601877  0.202404  0.300667  1
  Fe  Fe4  1  0.101877  0.202404  0.300667  1
  Fe  Fe5  1  0.444984  0.387414  0.374844  1
  Fe  Fe6  1  0.944984  0.387414  0.374844  1
  Fe  Fe7  1  0.831030  0.659953  0.349631  1
  Fe  Fe8  1  0.331030  0.659953  0.349631  1
  Fe  Fe9  1  0.671873  0.840205  0.425133  1
  Fe  Fe10  1  0.171873  0.840205  0.425133  1
  Fe  Fe11  1  0.058118  0.113182  0.400121  1
  Fe  Fe12  1  0.558118  0.113182  0.400121  1
  Fe  Fe13  1  0.899863  0.295189  0.475185  1
  Fe  Fe14  1  0.399863  0.295189  0.475185  1
  Fe  Fe15  1  0.285993  0.567943  0.450101  1
  Fe  Fe16  1  0.785993  0.567943  0.450101  1
  Fe  Fe17  1  0.127591  0.749654  0.525254  1
  Fe  Fe18  1  0.627591  0.749654  0.525254  1
  Fe  Fe19  1  0.513730  0.022427  0.500238  1
  Fe  Fe20  1  0.013730  0.022427  0.500238  1
  Fe  Fe21  1  0.355008  0.203506  0.575517  1
  Fe  Fe22  1  0.855008  0.203506  0.575517  1
  Fe  Fe23  1  0.741175  0.476333  0.550383  1
  Fe  Fe24  1  0.241175  0.476333  0.550383  1
  Fe  Fe25  1  0.583633  0.659753  0.625158  1
  Fe  Fe26  1  0.083633  0.659753  0.625158  1
  Fe  Fe27  1  0.969679  0.932335  0.600340  1
  Fe  Fe28  1  0.469679  0.932335  0.600340  1
  Fe  Fe29  1  0.809665  0.111023  0.676496  1
  Fe  Fe30  1  0.309665  0.111023  0.676496  1
  Fe  Fe31  1  0.195110  0.382217  0.650880  1
  Fe  Fe32  1  0.695110  0.382217  0.650880  1
  Fe  Fe33  1  0.055221  0.601163  0.723637  1
  Fe  Fe34  1  0.555221  0.601163  0.723637  1
  Fe  Fe35  1  0.426643  0.843846  0.700028  1
  Fe  Fe36  1  0.926643  0.843846  0.700028  1
  Ni  Ni37  1  0.247687  0.994640  0.276132  1
  Ni  Ni38  1  0.747687  0.994640  0.276132  1
  Ni  Ni39  1  0.852348  0.703968  0.299387  1
  Ni  Ni40  1  0.352348  0.703968  0.299387  1
  Ni  Ni41  1  0.466464  0.431257  0.324585  1
  Ni  Ni42  1  0.966464  0.431257  0.324585  1
  Ni  Ni43  1  0.080771  0.159512  0.350160  1
  Ni  Ni44  1  0.580771  0.159512  0.350160  1
  Ni  Ni45  1  0.694498  0.886428  0.375128  1
  Ni  Ni46  1  0.194498  0.886428  0.375128  1
  Ni  Ni47  1  0.308205  0.613364  0.399926  1
  Ni  Ni48  1  0.808205  0.613364  0.399926  1
  Ni  Ni49  1  0.922046  0.340542  0.425039  1
  Ni  Ni50  1  0.422046  0.340542  0.425039  1
  Ni  Ni51  1  0.535979  0.067916  0.450163  1
  Ni  Ni52  1  0.035979  0.067916  0.450163  1
  Ni  Ni53  1  0.149821  0.795106  0.475191  1
  Ni  Ni54  1  0.649821  0.795106  0.475191  1
  Ni  Ni55  1  0.763681  0.522331  0.500241  1
  Ni  Ni56  1  0.263681  0.522331  0.500241  1
  Ni  Ni57  1  0.377553  0.249578  0.525329  1
  Ni  Ni58  1  0.877553  0.249578  0.525329  1
  Ni  Ni59  1  0.991340  0.976657  0.550311  1
  Ni  Ni60  1  0.491340  0.976657  0.550311  1
  Ni  Ni61  1  0.605168  0.703821  0.575278  1
  Ni  Ni62  1  0.105168  0.703821  0.575278  1
  Ni  Ni63  1  0.219199  0.431393  0.600564  1
  Ni  Ni64  1  0.719199  0.431393  0.600564  1
  Ni  Ni65  1  0.833168  0.158821  0.625829  1
  Ni  Ni66  1  0.333168  0.158821  0.625829  1
  Ni  Ni67  1  0.446221  0.884452  0.650259  1
  Ni  Ni68  1  0.946221  0.884452  0.650259  1
  Ni  Ni69  1  0.060272  0.611940  0.674659  1
  Ni  Ni70  1  0.560272  0.611940  0.674659  1
  Ni  Ni71  1  0.675182  0.341801  0.701217  1
  Ni  Ni72  1  0.175182  0.341801  0.701217  1
