data_[Rb12I4Br6]
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/m]
_cell_length_a [8.8103]
_cell_length_b [15.2623]
_cell_length_c [8.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6I2Br3]
_chemical_formula_sum '[Rb12 I4 Br6]'
_cell_volume [1129.4095]
_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  8  0.2461  0.1653  0.2343  1
  Rb  Rb1  4  0.2421  0.5000  0.2344  1
  I  I2  4  0.0000  0.1667  0.5000  1
  Br  Br3  4  0.0000  0.3331  0.0000  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]