data_[Ba2Na16Cd8]
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 [I4/mmm]
_cell_length_a [11.2872]
_cell_length_b [11.2872]
_cell_length_c [6.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba(Na2Cd)4]
_chemical_formula_sum '[Ba2 Na16 Cd8]'
_cell_volume [815.4398]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Na  Na1  8  0.0000  0.2203  0.5000  1.0
  Na  Na2  8  0.0000  0.3465  0.0000  1.0
  Cd  Cd3  8  0.2500  0.2500  0.2500  1.0
]