data_[Fe4Co2Br16]
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 [C2/m]
_cell_length_a [13.9657]
_cell_length_b [8.5870]
_cell_length_c [6.2378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2CoBr8]
_chemical_formula_sum '[Fe4 Co2 Br16]'
_cell_volume [746.7764]
_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  4  0.1630  0.0000  0.4073  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0732  0.2045  0.2238  1
  Br  Br3  4  0.1498  0.0000  0.7812  1
  Br  Br4  4  0.1765  0.5000  0.6557  1
]