data_[Fe8Co4]
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 [C2/m]
_cell_length_a [9.0280]
_cell_length_b [2.8428]
_cell_length_c [5.7362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Co]
_chemical_formula_sum '[Fe8 Co4]'
_cell_volume [139.5247]
_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  4  0.0002  0.5000  0.7525  1.0
  Fe  Fe1  4  0.1681  0.0000  0.5858  1.0
  Co  Co2  4  0.1666  0.0000  0.0835  1.0
]