data_[Li36Ac6Cd15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1249]
_cell_length_b [10.1249]
_cell_length_c [14.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li12Ac2Cd5]
_chemical_formula_sum '[Li36 Ac6 Cd15]'
_cell_volume [1276.8837]
_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
[
  Li  Li0  18  0.0000  0.2785  0.0000  1
  Li  Li1  18  0.0177  0.5088  0.8550  1
  Ac  Ac2  6  0.0000  0.0000  0.3473  1
  Cd  Cd3  9  0.0000  0.5000  0.5000  1
  Cd  Cd4  6  0.0000  0.0000  0.1029  1
]