data_[Cd24Pd3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.0397]
_cell_length_b [8.0397]
_cell_length_c [17.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd8PdAu6]
_chemical_formula_sum '[Cd24 Pd3 Au18]'
_cell_volume [978.1442]
_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
[
  Cd  Cd0  18  0.0033  0.3206  0.1170  1.0
  Cd  Cd1  6  0.0000  0.0000  0.3374  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0005  0.6700  0.7202  1.0
]