data_[Fe3Co3Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.6230]
_cell_length_b [6.6230]
_cell_length_c [15.3943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [FeCoBr4]
_chemical_formula_sum '[Fe3 Co3 Br12]'
_cell_volume [584.7815]
_cell_formula_units_Z [3]
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  3  0.0000  0.4544  0.1667  1
  Co  Co1  3  0.0000  0.4567  0.6667  1
  Br  Br2  6  0.0663  0.6832  0.7965  1
  Br  Br3  6  0.0684  0.6878  0.2958  1
]