data_[Rb12Br5O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [14.0937]
_cell_length_b [14.0937]
_cell_length_c [4.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Rb12Br5O3]
_chemical_formula_sum '[Rb12 Br5 O3]'
_cell_volume [778.1639]
_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
[
  Rb  Rb0  6  0.2139  0.4356  0.5000  1
  Rb  Rb1  3  0.0000  0.5458  0.0000  1
  Rb  Rb2  3  0.0000  0.8060  0.0000  1
  Br  Br3  3  0.0000  0.2957  0.0000  1
  Br  Br4  2  0.3333  0.6667  0.0000  1
  O  O5  3  0.0000  0.6668  0.5000  1
]