data_[Fe6Co6B4]
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 [P2_1]
_cell_length_a [4.4273]
_cell_length_b [5.2753]
_cell_length_c [6.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Fe3Co3B2]
_chemical_formula_sum '[Fe6 Co6 B4]'
_cell_volume [154.8873]
_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  2  0.0996  0.3213  0.3023  1.0
  Fe  Fe1  2  0.1203  0.0225  0.9999  1.0
  Fe  Fe2  2  0.3777  0.9788  0.4976  1.0
  Co  Co3  2  0.0999  0.3198  0.6916  1.0
  Co  Co4  2  0.4004  0.6793  0.8068  1.0
  Co  Co5  2  0.4032  0.6783  0.1933  1.0
  B  B6  2  0.1751  0.6155  0.4997  1.0
  B  B7  2  0.3273  0.3844  0.9988  1.0
]