data_[Fe12Co2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.8378]
_cell_length_b [2.8378]
_cell_length_c [19.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Fe6Co]
_chemical_formula_sum '[Fe12 Co2]'
_cell_volume [160.9940]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1434  1.0
  Fe  Fe1  4  0.0000  0.0000  0.2857  1.0
  Fe  Fe2  4  0.0000  0.0000  0.4289  1.0
  Co  Co3  2  0.0000  0.0000  0.0000  1.0
]