data_[Cs6Rb6Na45]
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
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.3679]
_cell_length_b [13.3679]
_cell_length_c [18.1257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Rb2Na15]
_chemical_formula_sum '[Cs6 Rb6 Na45]'
_cell_volume [2805.1356]
_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  6  0.0000  0.0000  0.3496  1.0
  Rb  Rb1  6  0.0000  0.0000  0.1058  1.0
  Na  Na2  18  0.0000  0.3078  0.0000  1.0
  Na  Na3  18  0.0086  0.5043  0.1556  1.0
  Na  Na4  9  0.0000  0.5000  0.5000  1.0
]