data_[Cs16K8Rb12]
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 [C2/c]
_cell_length_a [25.2400]
_cell_length_b [16.7106]
_cell_length_c [8.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs4K2Rb3]
_chemical_formula_sum '[Cs16 K8 Rb12]'
_cell_volume [3519.2337]
_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  0.0618  0.1262  0.5262  1.0
  Cs  Cs1  8  0.1174  0.3839  0.8156  1.0
  Rb  Rb2  8  0.1766  0.1168  0.0844  1.0
  K  K3  8  0.2223  0.3626  0.3628  1.0
  Rb  Rb4  4  0.0000  0.3756  0.2500  1.0
]