# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06755006
_cell_length_b   6.08557134
_cell_length_c   49.35992841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.62656180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1725.61905447
_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  0.268643  0.035462  0.312887  1
  Fe  Fe2  1  0.768643  0.035462  0.312887  1
  Fe  Fe3  1  0.646916  0.292195  0.287100  1
  Fe  Fe4  1  0.146916  0.292195  0.287100  1
  Fe  Fe5  1  0.512676  0.523480  0.362608  1
  Fe  Fe6  1  0.012676  0.523480  0.362608  1
  Fe  Fe7  1  0.890864  0.779892  0.337722  1
  Fe  Fe8  1  0.390864  0.779892  0.337722  1
  Fe  Fe9  1  0.756468  0.011014  0.412679  1
  Fe  Fe10  1  0.256468  0.011014  0.412679  1
  Fe  Fe11  1  0.134591  0.267283  0.387596  1
  Fe  Fe12  1  0.634591  0.267283  0.387596  1
  Fe  Fe13  1  1.000129  0.498291  0.462763  1
  Fe  Fe14  1  0.500129  0.498291  0.462763  1
  Fe  Fe15  1  0.378288  0.754633  0.437739  1
  Fe  Fe16  1  0.878288  0.754633  0.437739  1
  Fe  Fe17  1  0.243850  0.985686  0.512844  1
  Fe  Fe18  1  0.743850  0.985686  0.512844  1
  Fe  Fe19  1  0.621988  0.241986  0.487797  1
  Fe  Fe20  1  0.121988  0.241986  0.487797  1
  Fe  Fe21  1  0.487550  0.473039  0.562903  1
  Fe  Fe22  1  0.987550  0.473039  0.562903  1
  Fe  Fe23  1  0.865709  0.729381  0.537878  1
  Fe  Fe24  1  0.365709  0.729381  0.537878  1
  Fe  Fe25  1  0.731247  0.960389  0.613045  1
  Fe  Fe26  1  0.231247  0.960389  0.613045  1
  Fe  Fe27  1  0.109370  0.216658  0.587962  1
  Fe  Fe28  1  0.609370  0.216658  0.587962  1
  Fe  Fe29  1  0.974974  0.447780  0.662919  1
  Fe  Fe30  1  0.474974  0.447780  0.662919  1
  Fe  Fe31  1  0.353162  0.704192  0.638033  1
  Fe  Fe32  1  0.853162  0.704192  0.638033  1
  Fe  Fe33  1  0.218922  0.935477  0.713541  1
  Fe  Fe34  1  0.718922  0.935477  0.713541  1
  Fe  Fe35  1  0.597195  0.192210  0.687754  1
  Fe  Fe36  1  0.097195  0.192210  0.687754  1
  Ni  Ni37  1  0.519124  0.536425  0.312538  1
  Ni  Ni38  1  0.019124  0.536425  0.312538  1
  Ni  Ni39  1  0.896462  0.791041  0.288292  1
  Ni  Ni40  1  0.396462  0.791041  0.288292  1
  Ni  Ni41  1  0.762826  0.023777  0.362587  1
  Ni  Ni42  1  0.262826  0.023777  0.362587  1
  Ni  Ni43  1  0.141216  0.280569  0.337429  1
  Ni  Ni44  1  0.641216  0.280569  0.337429  1
  Ni  Ni45  1  0.006411  0.510902  0.412690  1
  Ni  Ni46  1  0.506411  0.510902  0.412690  1
  Ni  Ni47  1  0.384599  0.767300  0.387694  1
  Ni  Ni48  1  0.884599  0.767300  0.387694  1
  Ni  Ni49  1  0.250146  0.998325  0.462760  1
  Ni  Ni50  1  0.750146  0.998325  0.462760  1
  Ni  Ni51  1  0.628281  0.254617  0.437710  1
  Ni  Ni52  1  0.128281  0.254617  0.437710  1
  Ni  Ni53  1  0.493841  0.485669  0.512837  1
  Ni  Ni54  1  0.993841  0.485669  0.512837  1
  Ni  Ni55  1  0.871997  0.742003  0.487804  1
  Ni  Ni56  1  0.371997  0.742003  0.487804  1
  Ni  Ni57  1  0.737557  0.973055  0.562932  1
  Ni  Ni58  1  0.237557  0.973055  0.562932  1
  Ni  Ni59  1  0.115692  0.229347  0.537882  1
  Ni  Ni60  1  0.615692  0.229347  0.537882  1
  Ni  Ni61  1  0.981239  0.460371  0.612948  1
  Ni  Ni62  1  0.481239  0.460371  0.612948  1
  Ni  Ni63  1  0.359427  0.716770  0.587951  1
  Ni  Ni64  1  0.859427  0.716770  0.587951  1
  Ni  Ni65  1  0.224622  0.947102  0.663212  1
  Ni  Ni66  1  0.724622  0.947102  0.663212  1
  Ni  Ni67  1  0.603012  0.203895  0.638054  1
  Ni  Ni68  1  0.103012  0.203895  0.638054  1
  Ni  Ni69  1  0.469376  0.436630  0.712349  1
  Ni  Ni70  1  0.969376  0.436630  0.712349  1
  Ni  Ni71  1  0.846714  0.691247  0.688103  1
  Ni  Ni72  1  0.346714  0.691247  0.688103  1
