data_[I4Br12Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9461]
_cell_length_b [14.1263]
_cell_length_c [7.9688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [IBr3Cl2]
_chemical_formula_sum '[I4 Br12 Cl8]'
_cell_volume [1151.5038]
_cell_formula_units_Z [4]
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
[
  I  I0  4  0.0000  0.2839  0.2500  1
  Br  Br1  8  0.1434  0.1683  0.1409  1
  Br  Br2  4  0.0000  0.4389  0.7500  1
  Cl  Cl3  8  0.2165  0.4420  0.9742  1
]