# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45053979
_cell_length_b   3.45053979
_cell_length_c   48.64593722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe6 Ni18'
_cell_volume   579.189466803
_cell_formula_units_Z   6
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  1.001555  1.001555  0.302017  1
  Fe  Fe2  1  1.001555  1.001555  0.373107  1
  Fe  Fe3  1  1.001555  1.001555  0.444522  1
  Fe  Fe4  1  1.001555  1.001555  0.515930  1
  Fe  Fe5  1  1.001555  1.001555  0.587337  1
  Fe  Fe6  1  1.001555  0.001555  0.658744  1
  Ni  Ni7  1  0.501555  0.501555  0.300903  1
  Ni  Ni8  1  0.501555  1.001555  0.337462  1
  Ni  Ni9  1  1.001555  0.501555  0.337462  1
  Ni  Ni10  1  0.501555  0.501555  0.373123  1
  Ni  Ni11  1  0.501555  1.001555  0.408817  1
  Ni  Ni12  1  1.001555  0.501555  0.408817  1
  Ni  Ni13  1  0.501555  0.501555  0.444521  1
  Ni  Ni14  1  0.501555  1.001555  0.480226  1
  Ni  Ni15  1  1.001555  0.501555  0.480226  1
  Ni  Ni16  1  0.501555  0.501555  0.515930  1
  Ni  Ni17  1  0.501555  1.001555  0.551635  1
  Ni  Ni18  1  1.001555  0.501555  0.551635  1
  Ni  Ni19  1  0.501555  0.501555  0.587342  1
  Ni  Ni20  1  0.501555  1.001555  0.623045  1
  Ni  Ni21  1  1.001555  0.501555  0.623045  1
  Ni  Ni22  1  0.501555  0.501555  0.658591  1
  Ni  Ni23  1  0.501555  1.001555  0.694579  1
  Ni  Ni24  1  1.001555  0.501555  0.694579  1
