data_[Co2I3Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6423]
_cell_length_b [21.3141]
_cell_length_c [7.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co2(IBr)3]
_chemical_formula_sum '[Co2 I3 Br3]'
_cell_volume [556.2451]
_cell_formula_units_Z [1]
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  2  0.0038  0.0829  0.4042  1
  I  I1  2  0.9760  0.1481  0.6990  1
  I  I2  1  0.9583  0.0000  0.1460  1
  Br  Br3  2  0.5226  0.1424  0.2636  1
  Br  Br4  1  0.3010  0.0000  0.5755  1
]