data_[Cs4K8Rb40]
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 [Fmmm]
_cell_length_a [8.8642]
_cell_length_b [23.3247]
_cell_length_c [23.4548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs(KRb5)2]
_chemical_formula_sum '[Cs4 K8 Rb40]'
_cell_volume [4849.3694]
_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  4  0.0000  0.0000  0.0000  1.0
  Rb  Rb1  16  0.0000  0.1065  0.3966  1.0
  Rb  Rb2  16  0.0000  0.1796  0.1747  1.0
  Rb  Rb3  8  0.2500  0.0000  0.2500  1.0
  K  K4  8  0.2500  0.2500  0.0000  1.0
]