data_[Cd4Ag4Au12]
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 [Cmcm]
_cell_length_a [4.8767]
_cell_length_b [13.2823]
_cell_length_c [5.8927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdAgAu3]
_chemical_formula_sum '[Cd4 Ag4 Au12]'
_cell_volume [381.6900]
_cell_formula_units_Z [4]
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  0.0000  0.1163  0.2500  1.0
  Ag  Ag1  4  0.0000  0.1168  0.7500  1.0
  Au  Au2  8  0.0000  0.3104  0.0007  1.0
  Au  Au3  4  0.0000  0.4999  0.2500  1.0
]