data_[Cd21Pd3Au36]
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 [12.5699]
_cell_length_b [12.5699]
_cell_length_c [8.5872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd7PdAu12]
_chemical_formula_sum '[Cd21 Pd3 Au36]'
_cell_volume [1175.0121]
_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  0.0548  0.8148  0.9144  1.0
  Cd  Cd1  3  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0554  0.8392  0.2493  1.0
  Au  Au4  18  0.0656  0.8222  0.5792  1.0
]