data_[Ba6Li4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3011]
_cell_length_b [5.2512]
_cell_length_c [9.9967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(LiCd2)2]
_chemical_formula_sum '[Ba6 Li4 Cd8]'
_cell_volume [611.8128]
_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  0.1360  0.5000  0.6918  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1738  0.5000  0.3396  1.0
  Cd  Cd3  4  0.0925  0.0000  0.4165  1.0
  Cd  Cd4  4  0.2239  0.5000  0.0715  1.0
]