data_[Cs3K18Rb36]
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 [R-3]
_cell_length_a [21.5546]
_cell_length_b [21.5546]
_cell_length_c [12.1787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs(KRb2)6]
_chemical_formula_sum '[Cs3 K18 Rb36]'
_cell_volume [4900.1955]
_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  3  0.0000  0.0000  0.0000  1
  Rb  Rb1  18  0.0135  0.8713  0.6604  1
  K  K2  18  0.0348  0.7544  0.3243  1
  Rb  Rb3  18  0.0633  0.5031  0.6714  1
]