data_[Cs36Rb18Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [17.4800]
_cell_length_b [17.4800]
_cell_length_c [21.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs12Rb6Cd]
_chemical_formula_sum '[Cs36 Rb18 Cd3]'
_cell_volume [5780.1813]
_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  0.0399  0.8579  0.8182  1
  Cs  Cs1  18  0.0644  0.2143  0.4098  1
  Rb  Rb2  18  0.0513  0.5980  0.7035  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]