data_[Ba4Li10Cd8]
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 [14.4756]
_cell_length_b [6.1018]
_cell_length_c [9.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.0952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li5Cd4]
_chemical_formula_sum '[Ba4 Li10 Cd8]'
_cell_volume [650.6993]
_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  0.2168  0.5000  0.7750  1.0
  Li  Li1  8  0.0468  0.2475  0.2495  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  4  0.1189  0.5000  0.0550  1.0
  Cd  Cd4  4  0.2231  0.0000  0.5514  1.0
]