data_[Fe8Co8B8]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.1958]
_cell_length_b [7.0434]
_cell_length_c [7.2127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [FeCoB]
_chemical_formula_sum '[Fe8 Co8 B8]'
_cell_volume [213.1532]
_cell_formula_units_Z [8]
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  0.1662  0.5000  1.0
  Co  Co1  8  0.0000  0.0000  0.1657  1.0
  B  B2  8  0.2500  0.2500  0.2500  1.0
]