data_[Fe8Co6Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.3984]
_cell_length_b [6.3984]
_cell_length_c [5.1139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Fe8Co6Ni]
_chemical_formula_sum '[Fe8 Co6 Ni1]'
_cell_volume [181.3135]
_cell_formula_units_Z [1]
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  6  0.0398  0.7569  0.1702  1
  Fe  Fe1  2  0.3333  0.6667  0.0312  1
  Co  Co2  6  0.0836  0.6611  0.6414  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
]