# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97784232
_cell_length_b   5.98649685
_cell_length_c   48.59874510
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.74511045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1647.68337244
_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  0.443737  0.386443  0.299149  1
  Fe  Fe2  1  0.943737  0.386443  0.299149  1
  Fe  Fe3  1  0.826498  0.651950  0.274795  1
  Fe  Fe4  1  0.326498  0.651950  0.274795  1
  Fe  Fe5  1  0.685001  0.868449  0.349745  1
  Fe  Fe6  1  0.185001  0.868449  0.349745  1
  Fe  Fe7  1  0.064333  0.127223  0.324441  1
  Fe  Fe8  1  0.564333  0.127223  0.324441  1
  Fe  Fe9  1  0.927007  0.352124  0.399585  1
  Fe  Fe10  1  0.427007  0.352124  0.399585  1
  Fe  Fe11  1  0.306014  0.610309  0.374709  1
  Fe  Fe12  1  0.806014  0.610309  0.374709  1
  Fe  Fe13  1  0.168950  0.835684  0.449668  1
  Fe  Fe14  1  0.668950  0.835684  0.449668  1
  Fe  Fe15  1  0.548009  0.093962  0.424612  1
  Fe  Fe16  1  0.048009  0.093962  0.424612  1
  Fe  Fe17  1  0.410825  0.319106  0.499667  1
  Fe  Fe18  1  0.910825  0.319106  0.499667  1
  Fe  Fe19  1  0.789879  0.577377  0.474665  1
  Fe  Fe20  1  0.289879  0.577377  0.474665  1
  Fe  Fe21  1  0.652761  0.802648  0.549676  1
  Fe  Fe22  1  0.152761  0.802648  0.549676  1
  Fe  Fe23  1  0.031794  0.060880  0.524694  1
  Fe  Fe24  1  0.531794  0.060880  0.524694  1
  Fe  Fe25  1  0.894582  0.285971  0.599738  1
  Fe  Fe26  1  0.394582  0.285971  0.599738  1
  Fe  Fe27  1  0.273686  0.544332  0.574638  1
  Fe  Fe28  1  0.773686  0.544332  0.574638  1
  Fe  Fe29  1  0.136513  0.769487  0.649650  1
  Fe  Fe30  1  0.636513  0.769487  0.649650  1
  Fe  Fe31  1  0.515631  0.027906  0.624860  1
  Fe  Fe32  1  0.015631  0.027906  0.624860  1
  Fe  Fe33  1  0.376083  0.248506  0.700375  1
  Fe  Fe34  1  0.876083  0.248506  0.700375  1
  Fe  Fe35  1  0.756917  0.510074  0.674309  1
  Fe  Fe36  1  0.256917  0.510074  0.674309  1
  Ni  Ni37  1  0.195491  0.889620  0.299573  1
  Ni  Ni38  1  0.695491  0.889620  0.299573  1
  Ni  Ni39  1  0.814077  0.626803  0.324804  1
  Ni  Ni40  1  0.314077  0.626803  0.324804  1
  Ni  Ni41  1  0.435140  0.368714  0.349496  1
  Ni  Ni42  1  0.935140  0.368714  0.349496  1
  Ni  Ni43  1  0.056170  0.110612  0.374550  1
  Ni  Ni44  1  0.556170  0.110612  0.374550  1
  Ni  Ni45  1  0.677043  0.852195  0.399678  1
  Ni  Ni46  1  0.177043  0.852195  0.399678  1
  Ni  Ni47  1  0.297942  0.593833  0.424669  1
  Ni  Ni48  1  0.797942  0.593833  0.424669  1
  Ni  Ni49  1  0.918928  0.335639  0.449636  1
  Ni  Ni50  1  0.418928  0.335639  0.449636  1
  Ni  Ni51  1  0.539902  0.077422  0.474656  1
  Ni  Ni52  1  0.039902  0.077422  0.474656  1
  Ni  Ni53  1  0.160853  0.819161  0.499671  1
  Ni  Ni54  1  0.660853  0.819161  0.499671  1
  Ni  Ni55  1  0.781790  0.560871  0.524662  1
  Ni  Ni56  1  0.281790  0.560871  0.524662  1
  Ni  Ni57  1  0.402701  0.302531  0.549695  1
  Ni  Ni58  1  0.902701  0.302531  0.549695  1
  Ni  Ni59  1  0.023674  0.044312  0.574744  1
  Ni  Ni60  1  0.523674  0.044312  0.574744  1
  Ni  Ni61  1  0.644734  0.786264  0.599680  1
  Ni  Ni62  1  0.144734  0.786264  0.599680  1
  Ni  Ni63  1  0.265649  0.527934  0.624571  1
  Ni  Ni64  1  0.765649  0.527934  0.624571  1
  Ni  Ni65  1  0.886328  0.269130  0.649804  1
  Ni  Ni66  1  0.386328  0.269130  0.649804  1
  Ni  Ni67  1  0.507015  0.010377  0.675065  1
  Ni  Ni68  1  0.007015  0.010377  0.675065  1
  Ni  Ni69  1  0.128360  0.752665  0.699799  1
  Ni  Ni70  1  0.628360  0.752665  0.699799  1
  Ni  Ni71  1  0.751528  0.499087  0.723532  1
  Ni  Ni72  1  0.251528  0.499087  0.723532  1
