data_[Rb10I2Br8]
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 [I4/mmm]
_cell_length_a [5.0465]
_cell_length_b [5.0465]
_cell_length_c [35.5342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb5IBr4]
_chemical_formula_sum '[Rb10 I2 Br8]'
_cell_volume [904.9554]
_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
[
  Rb  Rb0  4  0.0000  0.0000  0.1035  1.0
  Rb  Rb1  4  0.0000  0.0000  0.2998  1.0
  Rb  Rb2  2  0.0000  0.0000  0.5000  1.0
  I  I3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.2015  1.0
  Br  Br5  4  0.0000  0.0000  0.3986  1.0
]