data_[Fe2Co2B4]
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 [Amm2]
_cell_length_a [3.0081]
_cell_length_b [2.8745]
_cell_length_c [7.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [FeCoB2]
_chemical_formula_sum '[Fe2 Co2 B4]'
_cell_volume [63.3924]
_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  0.5000  0.0000  0.0183  1.0
  Co  Co1  2  0.0000  0.0000  0.7397  1.0
  B  B2  2  0.0000  0.0000  0.4498  1.0
  B  B3  2  0.5000  0.0000  0.3052  1.0
]