data_[Ba6Na45Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.9524]
_cell_length_b [11.9524]
_cell_length_c [17.1246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Na15Cd2]
_chemical_formula_sum '[Ba6 Na45 Cd6]'
_cell_volume [2118.6621]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3283  1
  Na  Na1  18  0.0000  0.2803  0.0000  1
  Na  Na2  18  0.0010  0.5005  0.1454  1
  Na  Na3  9  0.0000  0.5000  0.5000  1
  Cd  Cd4  6  0.0000  0.0000  0.0965  1
]