data_[Cs12K4Rb12]
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 [Cmmm]
_cell_length_a [16.2016]
_cell_length_b [16.7297]
_cell_length_c [10.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs3KRb3]
_chemical_formula_sum '[Cs12 K4 Rb12]'
_cell_volume [2895.0318]
_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  0.2500  0.2500  0.2441  1
  Cs  Cs1  4  0.0000  0.0000  0.2480  1
  K  K2  4  0.0000  0.2605  0.0000  1
  Rb  Rb3  4  0.0000  0.2843  0.5000  1
  Rb  Rb4  4  0.1625  0.5000  0.0000  1
  Rb  Rb5  4  0.2036  0.5000  0.5000  1
]