data_[Fe12Co8]
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 [Fmmm]
_cell_length_a [2.8404]
_cell_length_b [4.0520]
_cell_length_c [20.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Fe3Co2]
_chemical_formula_sum '[Fe12 Co8]'
_cell_volume [230.8310]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.3006  1.0
  Fe  Fe1  4  0.0000  0.0000  0.5000  1.0
  Co  Co2  8  0.0000  0.0000  0.0996  1.0
]