# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80713459
_cell_length_b   7.17857225
_cell_length_c   48.42964426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.66881406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe40 Ni40'
_cell_volume   1992.16878701
_cell_formula_units_Z   40
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  0.546781  0.770960  0.306324  1
  Fe  Fe2  1  0.046781  0.270960  0.306324  1
  Fe  Fe3  1  0.131757  0.826284  0.284716  1
  Fe  Fe4  1  0.631757  0.326284  0.284716  1
  Fe  Fe5  1  0.368139  0.663966  0.351722  1
  Fe  Fe6  1  0.868139  0.163966  0.351722  1
  Fe  Fe7  1  0.960312  0.717280  0.329386  1
  Fe  Fe8  1  0.460312  0.217280  0.329386  1
  Fe  Fe9  1  0.190122  0.555841  0.397321  1
  Fe  Fe10  1  0.690122  0.055841  0.397321  1
  Fe  Fe11  1  0.781050  0.609788  0.374750  1
  Fe  Fe12  1  0.281050  0.109788  0.374750  1
  Fe  Fe13  1  0.011836  0.447662  0.442862  1
  Fe  Fe14  1  0.511836  0.947662  0.442862  1
  Fe  Fe15  1  0.602019  0.501647  0.420193  1
  Fe  Fe16  1  0.102019  0.001647  0.420193  1
  Fe  Fe17  1  0.833384  0.339504  0.488385  1
  Fe  Fe18  1  0.333384  0.839504  0.488385  1
  Fe  Fe19  1  0.423251  0.393521  0.465687  1
  Fe  Fe20  1  0.923251  0.893521  0.465687  1
  Fe  Fe21  1  0.654771  0.231356  0.533891  1
  Fe  Fe22  1  0.154771  0.731356  0.533891  1
  Fe  Fe23  1  0.244639  0.285373  0.511192  1
  Fe  Fe24  1  0.744639  0.785373  0.511192  1
  Fe  Fe25  1  0.476004  0.123230  0.579384  1
  Fe  Fe26  1  0.976004  0.623230  0.579384  1
  Fe  Fe27  1  0.066187  0.177215  0.556716  1
  Fe  Fe28  1  0.566187  0.677215  0.556716  1
  Fe  Fe29  1  0.296973  0.015089  0.624828  1
  Fe  Fe30  1  0.796973  0.515089  0.624828  1
  Fe  Fe31  1  0.887901  0.069037  0.602257  1
  Fe  Fe32  1  0.387901  0.569037  0.602257  1
  Fe  Fe33  1  0.117711  0.907597  0.670191  1
  Fe  Fe34  1  0.617711  0.407597  0.670191  1
  Fe  Fe35  1  0.709883  0.960911  0.647855  1
  Fe  Fe36  1  0.209883  0.460911  0.647855  1
  Fe  Fe37  1  0.946265  0.798593  0.714861  1
  Fe  Fe38  1  0.446265  0.298593  0.714861  1
  Fe  Fe39  1  0.531242  0.853917  0.693253  1
  Fe  Fe40  1  0.031242  0.353917  0.693253  1
  Ni  Ni41  1  0.384070  0.075686  0.284007  1
  Ni  Ni42  1  0.884070  0.575686  0.284007  1
  Ni  Ni43  1  0.795442  0.021699  0.306267  1
  Ni  Ni44  1  0.295442  0.521699  0.306267  1
  Ni  Ni45  1  0.208708  0.969190  0.329390  1
  Ni  Ni46  1  0.708708  0.469190  0.329390  1
  Ni  Ni47  1  0.619596  0.912776  0.351784  1
  Ni  Ni48  1  0.119596  0.412776  0.351784  1
  Ni  Ni49  1  0.030067  0.860637  0.374691  1
  Ni  Ni50  1  0.530067  0.360637  0.374691  1
  Ni  Ni51  1  0.440822  0.805185  0.397338  1
  Ni  Ni52  1  0.940822  0.305185  0.397338  1
  Ni  Ni53  1  0.851492  0.752136  0.420183  1
  Ni  Ni54  1  0.351492  0.252136  0.420183  1
  Ni  Ni55  1  0.262255  0.697303  0.442876  1
  Ni  Ni56  1  0.762255  0.197303  0.442876  1
  Ni  Ni57  1  0.672918  0.643808  0.465675  1
  Ni  Ni58  1  0.172918  0.143808  0.465675  1
  Ni  Ni59  1  0.083672  0.589247  0.488393  1
  Ni  Ni60  1  0.583672  0.089247  0.488393  1
  Ni  Ni61  1  0.494351  0.535630  0.511185  1
  Ni  Ni62  1  0.994351  0.035630  0.511185  1
  Ni  Ni63  1  0.905105  0.481069  0.533902  1
  Ni  Ni64  1  0.405105  0.981069  0.533902  1
  Ni  Ni65  1  0.315768  0.427574  0.556702  1
  Ni  Ni66  1  0.815768  0.927574  0.556702  1
  Ni  Ni67  1  0.726531  0.372741  0.579395  1
  Ni  Ni68  1  0.226531  0.872741  0.579395  1
  Ni  Ni69  1  0.137200  0.319692  0.602240  1
  Ni  Ni70  1  0.637200  0.819692  0.602240  1
  Ni  Ni71  1  0.547955  0.264240  0.624886  1
  Ni  Ni72  1  0.047955  0.764240  0.624886  1
  Ni  Ni73  1  0.958426  0.212101  0.647793  1
  Ni  Ni74  1  0.458426  0.712101  0.647793  1
  Ni  Ni75  1  0.369314  0.155687  0.670187  1
  Ni  Ni76  1  0.869314  0.655687  0.670187  1
  Ni  Ni77  1  0.782581  0.103178  0.693310  1
  Ni  Ni78  1  0.282581  0.603178  0.693310  1
  Ni  Ni79  1  0.193952  0.049191  0.715571  1
  Ni  Ni80  1  0.693952  0.549191  0.715571  1
