data_[Cd2Pt4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4488]
_cell_length_b [11.2626]
_cell_length_c [4.3569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cd(PtAu4)2]
_chemical_formula_sum '[Cd2 Pt4 Au16]'
_cell_volume [414.5888]
_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  0.0000  0.5000  1.0
  Pt  Pt1  4  0.0000  0.3826  0.0000  1.0
  Au  Au2  8  0.1699  0.1352  0.0000  1.0
  Au  Au3  4  0.0000  0.2465  0.5000  1.0
  Au  Au4  4  0.1680  0.5000  0.5000  1.0
]