data_[Rb24Au3I9Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1791]
_cell_length_b [10.1791]
_cell_length_c [25.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb8AuI3Br4]
_chemical_formula_sum '[Rb24 Au3 I9 Br12]'
_cell_volume [2249.5705]
_cell_formula_units_Z [3]
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  18  0.0046  0.5023  0.2542  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2555  1.0
  Au  Au2  3  -0.0000  -0.0000  0.5000  1.0
  I  I3  9  0.0000  0.5000  0.5000  1.0
  Br  Br4  9  0.0000  0.5000  0.0000  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]