data_[Cs9K9Al3F24]
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
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8027]
_cell_length_b [7.8027]
_cell_length_c [20.4455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3K3AlF8]
_chemical_formula_sum '[Cs9 K9 Al3 F24]'
_cell_volume [1077.9859]
_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
  K  K1  9  0.0000  0.5000  0.5000  1
  Al  Al2  3  0.0000  0.0000  0.5000  1
  F  F3  18  0.1075  0.5537  0.2184  1
  F  F4  6  0.0000  0.0000  0.2372  1
]