data_[Ac18Cd6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.2496]
_cell_length_b [8.2496]
_cell_length_c [20.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ac3CdPd2]
_chemical_formula_sum '[Ac18 Cd6 Pd12]'
_cell_volume [1181.3163]
_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
[
  Ac  Ac0  18  0.0000  0.2859  0.7500  1
  Cd  Cd1  6  0.0000  0.0000  0.0000  1
  Pd  Pd2  12  0.0000  0.0000  0.1443  1
]