# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60675056
_cell_length_b   7.30261056
_cell_length_c   46.89236903
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.21667826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe40 Ni40'
_cell_volume   1897.44162608
_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  0.611011  0.165862  0.283286  1
  Fe  Fe2  1  0.111011  0.665862  0.283286  1
  Fe  Fe3  1  0.026341  0.111051  0.306088  1
  Fe  Fe4  1  0.526341  0.611051  0.306088  1
  Fe  Fe5  1  0.436839  0.063906  0.329457  1
  Fe  Fe6  1  0.936839  0.563906  0.329457  1
  Fe  Fe7  1  0.846121  0.014593  0.351824  1
  Fe  Fe8  1  0.346121  0.514593  0.351824  1
  Fe  Fe9  1  0.255972  0.966784  0.374608  1
  Fe  Fe10  1  0.755972  0.466784  0.374608  1
  Fe  Fe11  1  0.665308  0.918402  0.397259  1
  Fe  Fe12  1  0.165308  0.418402  0.397259  1
  Fe  Fe13  1  0.075222  0.870417  0.420063  1
  Fe  Fe14  1  0.575222  0.370417  0.420063  1
  Fe  Fe15  1  0.484775  0.822102  0.442768  1
  Fe  Fe16  1  0.984775  0.322102  0.442768  1
  Fe  Fe17  1  0.894502  0.773964  0.465520  1
  Fe  Fe18  1  0.394502  0.273964  0.465520  1
  Fe  Fe19  1  0.304091  0.725718  0.488240  1
  Fe  Fe20  1  0.804091  0.225718  0.488240  1
  Fe  Fe21  1  0.713800  0.677569  0.510989  1
  Fe  Fe22  1  0.213800  0.177569  0.510989  1
  Fe  Fe23  1  0.123389  0.629324  0.533709  1
  Fe  Fe24  1  0.623389  0.129324  0.533709  1
  Fe  Fe25  1  0.533116  0.581186  0.556460  1
  Fe  Fe26  1  0.033116  0.081186  0.556460  1
  Fe  Fe27  1  0.942669  0.532870  0.579165  1
  Fe  Fe28  1  0.442669  0.032870  0.579165  1
  Fe  Fe29  1  0.352583  0.484885  0.601969  1
  Fe  Fe30  1  0.852583  0.984885  0.601969  1
  Fe  Fe31  1  0.761919  0.436504  0.624620  1
  Fe  Fe32  1  0.261919  0.936504  0.624620  1
  Fe  Fe33  1  0.171770  0.388695  0.647404  1
  Fe  Fe34  1  0.671770  0.888695  0.647404  1
  Fe  Fe35  1  0.581051  0.339382  0.669771  1
  Fe  Fe36  1  0.081051  0.839382  0.669771  1
  Fe  Fe37  1  0.991550  0.292236  0.693140  1
  Fe  Fe38  1  0.491550  0.792236  0.693140  1
  Fe  Fe39  1  0.406880  0.237426  0.715942  1
  Fe  Fe40  1  0.906880  0.737426  0.715942  1
  Ni  Ni41  1  0.366038  0.912783  0.284491  1
  Ni  Ni42  1  0.866038  0.412783  0.284491  1
  Ni  Ni43  1  0.773874  0.862866  0.306375  1
  Ni  Ni44  1  0.273874  0.362866  0.306375  1
  Ni  Ni45  1  0.186606  0.813020  0.329179  1
  Ni  Ni46  1  0.686606  0.313020  0.329179  1
  Ni  Ni47  1  0.596040  0.764503  0.351615  1
  Ni  Ni48  1  0.096040  0.264503  0.351615  1
  Ni  Ni49  1  0.005812  0.717005  0.374664  1
  Ni  Ni50  1  0.505812  0.217005  0.374664  1
  Ni  Ni51  1  0.415635  0.668477  0.397271  1
  Ni  Ni52  1  0.915635  0.168477  0.397271  1
  Ni  Ni53  1  0.825131  0.620386  0.420072  1
  Ni  Ni54  1  0.325131  0.120386  0.420072  1
  Ni  Ni55  1  0.234826  0.572084  0.442753  1
  Ni  Ni56  1  0.734826  0.072084  0.442753  1
  Ni  Ni57  1  0.644444  0.523970  0.465525  1
  Ni  Ni58  1  0.144444  0.023970  0.465525  1
  Ni  Ni59  1  0.054135  0.475723  0.488236  1
  Ni  Ni60  1  0.554135  0.975723  0.488236  1
  Ni  Ni61  1  0.463756  0.427565  0.510992  1
  Ni  Ni62  1  0.963756  0.927565  0.510992  1
  Ni  Ni63  1  0.873446  0.379318  0.533703  1
  Ni  Ni64  1  0.373446  0.879318  0.533703  1
  Ni  Ni65  1  0.283065  0.331204  0.556475  1
  Ni  Ni66  1  0.783065  0.831204  0.556475  1
  Ni  Ni67  1  0.692760  0.282902  0.579156  1
  Ni  Ni68  1  0.192760  0.782902  0.579156  1
  Ni  Ni69  1  0.102255  0.234810  0.601957  1
  Ni  Ni70  1  0.602255  0.734810  0.601957  1
  Ni  Ni71  1  0.512079  0.186283  0.624564  1
  Ni  Ni72  1  0.012079  0.686283  0.624564  1
  Ni  Ni73  1  0.921851  0.138785  0.647613  1
  Ni  Ni74  1  0.421851  0.638785  0.647613  1
  Ni  Ni75  1  0.331285  0.090268  0.670049  1
  Ni  Ni76  1  0.831285  0.590268  0.670049  1
  Ni  Ni77  1  0.744017  0.040421  0.692853  1
  Ni  Ni78  1  0.244017  0.540421  0.692853  1
  Ni  Ni79  1  0.151853  0.990505  0.714737  1
  Ni  Ni80  1  0.651853  0.490505  0.714737  1
