data_[Cs16K4Rb2]
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/m]
_cell_length_a [31.4960]
_cell_length_b [5.7316]
_cell_length_c [13.2558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8K2Rb]
_chemical_formula_sum '[Cs16 K4 Rb2]'
_cell_volume [2313.0864]
_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  4  0.0395  0.0000  0.7306  1.0
  Cs  Cs1  4  0.0966  0.5000  0.4689  1.0
  Cs  Cs2  4  0.1397  0.0000  0.1811  1.0
  Cs  Cs3  4  0.1840  0.5000  0.8905  1.0
  K  K4  4  0.2309  0.0000  0.6288  1.0
  Rb  Rb5  2  0.0000  0.5000  0.0000  1.0
]