# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.50337933
_cell_length_b   2.50337933
_cell_length_c   24.87466040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe9 Ni3'
_cell_volume   135.00228398
_cell_formula_units_Z   3
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  Fe0  1  0.00000000  0.00000000  0.25013200  1
  Fe  Fe1  1  0.33333300  0.66666700  0.16666700  1
  Fe  Fe2  1  0.66666700  0.33333300  0.08320200  1
  Fe  Fe3  1  0.66666700  0.33333300  0.58346500  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.33333300  0.66666700  0.41653500  1
  Fe  Fe6  1  0.33333300  0.66666700  0.91679800  1
  Fe  Fe7  1  0.66666700  0.33333300  0.83333300  1
  Fe  Fe8  1  0.00000000  0.00000000  0.74986800  1
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni10  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni11  1  0.33333300  0.66666700  0.66666700  1
