data_[Cd2Pd4Au16]
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 [C2/m]
_cell_length_a [14.8761]
_cell_length_b [4.1787]
_cell_length_c [6.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(PdAu4)2]
_chemical_formula_sum '[Cd2 Pd4 Au16]'
_cell_volume [392.9627]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.2273  0.0000  0.6375  1.0
  Au  Au2  4  0.0475  0.0000  0.7264  1.0
  Au  Au3  4  0.0946  0.5000  0.4577  1.0
  Au  Au4  4  0.1393  0.0000  0.1915  1.0
  Au  Au5  4  0.1831  0.5000  0.9107  1.0
]