data_[Cd4Pt2Au12]
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 [C2/m]
_cell_length_a [9.4117]
_cell_length_b [4.2647]
_cell_length_c [8.7147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2PtAu6]
_chemical_formula_sum '[Cd4 Pt2 Au12]'
_cell_volume [329.3124]
_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  4  0.1697  0.5000  0.0653  1.0
  Pt  Pt1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  4  0.0029  0.0000  0.1694  1.0
  Au  Au3  4  0.1576  0.5000  0.7190  1.0
  Au  Au4  4  0.1706  0.5000  0.3947  1.0
]