data_[Cs9K3Rb12Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.0682]
_cell_length_b [10.0682]
_cell_length_c [24.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3KRb4Br8]
_chemical_formula_sum '[Cs9 K3 Rb12 Br24]'
_cell_volume [2164.6605]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.0000  1.0
  Rb  Rb1  9  0.0000  0.5000  0.5000  1.0
  Rb  Rb2  3  -0.0000  -0.0000  0.5000  1.0
  K  K3  3  0.0000  0.0000  0.0000  1.0
  Br  Br4  18  0.0109  0.5055  0.7517  1.0
  Br  Br5  6  0.0000  0.0000  0.2450  1.0
]