data_[Ba16Na2Cd4]
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 [C2/m]
_cell_length_a [22.0036]
_cell_length_b [6.0368]
_cell_length_c [9.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8NaCd2]
_chemical_formula_sum '[Ba16 Na2 Cd4]'
_cell_volume [1131.5845]
_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  4  0.0363  0.0000  0.7747  1.0
  Ba  Ba1  4  0.0987  0.5000  0.4783  1.0
  Ba  Ba2  4  0.1777  0.5000  0.9651  1.0
  Ba  Ba3  4  0.1969  0.0000  0.3131  1.0
  Na  Na4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.1852  0.0000  0.6996  1.0
]