data_[Ba9Li24Cd3]
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 [R3m]
_cell_length_a [6.2842]
_cell_length_b [6.2842]
_cell_length_c [31.3624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3Li8Cd]
_chemical_formula_sum '[Ba9 Li24 Cd3]'
_cell_volume [1072.6112]
_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  3  0.0000  0.0000  0.0112  1
  Ba  Ba1  3  0.0000  0.0000  0.4917  1
  Ba  Ba2  3  0.0000  0.0000  0.6235  1
  Li  Li3  9  0.1700  0.3400  0.8902  1
  Li  Li4  9  0.1718  0.3436  0.4003  1
  Li  Li5  3  0.0000  0.0000  0.3156  1
  Li  Li6  3  0.0000  0.0000  0.8094  1
  Cd  Cd7  3  0.0000  0.0000  0.1271  1
]