data_[Cs12Rb9Ba3F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5406]
_cell_length_b [8.5406]
_cell_length_c [21.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4Rb3BaF8]
_chemical_formula_sum '[Cs12 Rb9 Ba3 F24]'
_cell_volume [1343.6644]
_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
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  9  0.0000  0.5000  0.5000  1.0
  Ba  Ba3  3  -0.0000  -0.0000  0.5000  1.0
  F  F4  18  0.0343  0.5171  0.2361  1.0
  F  F5  6  0.0000  0.0000  0.2447  1.0
]