data_[Cs12K8Rb20]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [18.0913]
_cell_length_b [24.3773]
_cell_length_c [8.9709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3K2Rb5]
_chemical_formula_sum '[Cs12 K8 Rb20]'
_cell_volume [3956.3397]
_cell_formula_units_Z [4]
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  8  0.0941  0.1945  0.5000  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2500  1.0
  Rb  Rb2  8  0.1122  0.3374  0.0000  1.0
  K  K3  8  0.2094  0.1634  0.0000  1.0
  Rb  Rb4  8  0.2460  0.5000  0.2500  1.0
  Rb  Rb5  4  0.0000  0.5000  0.2500  1.0
]