data_[Cs21K36Na3]
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
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [22.0858]
_cell_length_b [22.0858]
_cell_length_c [12.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs7K12Na]
_chemical_formula_sum '[Cs21 K36 Na3]'
_cell_volume [5147.3529]
_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  0.0092  0.8461  0.1733  1
  Cs  Cs1  3  0.0000  0.0000  0.5000  1
  K  K2  18  0.0188  0.7461  0.8011  1
  K  K3  18  0.0693  0.5135  0.1698  1
  Na  Na4  3  0.0000  0.0000  0.0000  1
]