data_[Fe4Co12]
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 [8.9777]
_cell_length_b [2.7992]
_cell_length_c [8.0411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeCo3]
_chemical_formula_sum '[Fe4 Co12]'
_cell_volume [180.6992]
_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  0.1257  0.0000  0.6871  1.0
  Co  Co1  4  0.1220  0.5000  0.4366  1.0
  Co  Co2  4  0.1244  0.5000  0.9326  1.0
  Co  Co3  4  0.1283  0.0000  0.1861  1.0
]