data_[Li12Al6Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6693]
_cell_length_b [4.6693]
_cell_length_c [28.9681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2AlCd2]
_chemical_formula_sum '[Li12 Al6 Cd12]'
_cell_volume [546.9590]
_cell_formula_units_Z [6]
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
[
  Li  Li0  6  0.0000  0.0000  0.0527  1.0
  Li  Li1  6  0.0000  0.0000  0.1510  1.0
  Al  Al2  6  0.0000  0.0000  0.2488  1.0
  Cd  Cd3  6  0.0000  0.0000  0.4499  1.0
  Cd  Cd4  6  0.0000  0.0000  0.6506  1.0
]