data_[Co4Ir2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9407]
_cell_length_b [8.4747]
_cell_length_c [6.3684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co2IrBr8]
_chemical_formula_sum '[Co4 Ir2 Br16]'
_cell_volume [752.3113]
_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
[
  Co  Co0  4  0.1600  0.0000  0.4261  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0732  0.2029  0.2397  1.0
  Br  Br3  4  0.1528  0.0000  0.7978  1.0
  Br  Br4  4  0.1805  0.5000  0.6450  1.0
]