data_[Cs18K3Rb36]
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 [R-3]
_cell_length_a [17.9535]
_cell_length_b [17.9535]
_cell_length_c [20.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs6KRb12]
_chemical_formula_sum '[Cs18 K3 Rb36]'
_cell_volume [5748.7945]
_cell_formula_units_Z [3]
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  18  0.0297  0.4367  0.7143  1.0
  Rb  Rb1  18  0.0457  0.1799  0.8089  1.0
  Rb  Rb2  18  0.0657  0.8679  0.4049  1.0
  K  K3  3  0.0000  0.0000  0.0000  1.0
]