data_[Cd16Ag4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2488]
_cell_length_b [4.3311]
_cell_length_c [6.8138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8Ag2Au]
_chemical_formula_sum '[Cd16 Ag4 Au2]'
_cell_volume [460.0368]
_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  0.0435  0.0000  0.7315  1.0
  Cd  Cd1  4  0.0957  0.5000  0.4498  1.0
  Cd  Cd2  4  0.1400  0.0000  0.1853  1.0
  Cd  Cd3  4  0.1817  0.5000  0.9081  1.0
  Ag  Ag4  4  0.2263  0.0000  0.6358  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]