data_[Cd8Ag10Au6]
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 [7.9021]
_cell_length_b [5.1442]
_cell_length_c [12.4621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4Ag5Au3]
_chemical_formula_sum '[Cd8 Ag10 Au6]'
_cell_volume [494.2267]
_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  0.0687  0.0000  0.1150  1
  Cd  Cd1  4  0.1996  0.0000  0.3460  1
  Ag  Ag2  4  0.0451  0.5000  0.7960  1
  Ag  Ag3  4  0.1872  0.5000  0.0384  1
  Ag  Ag4  2  0.0000  0.5000  0.5000  1
  Au  Au5  4  0.1734  0.0000  0.7266  1
  Au  Au6  2  0.0000  0.0000  0.5000  1
]