data_[Cd2Pt2Au12]
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 [8.1653]
_cell_length_b [5.4897]
_cell_length_c [7.6390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPtAu6]
_chemical_formula_sum '[Cd2 Pt2 Au12]'
_cell_volume [326.4299]
_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  0.5000  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.1913  0.2515  0.3040  1
  Au  Au3  4  0.1478  0.5000  0.9454  1
]