data_[Cd6Ag12Au2]
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 [10.1801]
_cell_length_b [5.5587]
_cell_length_c [7.4205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3Ag6Au]
_chemical_formula_sum '[Cd6 Ag12 Au2]'
_cell_volume [398.9550]
_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  0.1011  0.0000  0.6857  1
  Cd  Cd1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  8  0.1604  0.2501  0.3099  1
  Ag  Ag3  4  0.1718  0.5000  0.9203  1
  Au  Au4  2  0.0000  0.5000  0.5000  1
]