data_[Rb4I8Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6206]
_cell_length_b [17.1206]
_cell_length_c [9.8636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb(IBr2)2]
_chemical_formula_sum '[Rb4 I8 Br16]'
_cell_volume [1340.3553]
_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
[
  Rb  Rb0  4  0.0000  0.3721  0.7500  1.0
  I  I1  4  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.2500  0.2500  0.5000  1.0
  Br  Br3  8  0.0503  0.2139  0.9910  1.0
  Br  Br4  8  0.1885  0.5393  0.9846  1.0
]