data_[Cs2K6Rb12]
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 [P2_1/c]
_cell_length_a [10.0265]
_cell_length_b [13.4578]
_cell_length_c [16.8329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs(KRb2)3]
_chemical_formula_sum '[Cs2 K6 Rb12]'
_cell_volume [1830.1416]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  K  K1  4  0.1153  0.6829  0.8604  1.0
  Rb  Rb2  4  0.1298  0.6199  0.1431  1.0
  Rb  Rb3  4  0.3515  0.1384  0.3693  1.0
  Rb  Rb4  4  0.4252  0.1694  0.6733  1.0
  K  K5  2  0.5000  0.0000  0.0000  1.0
]