data_[Cd8Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5139]
_cell_length_b [5.6344]
_cell_length_c [8.3557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2SnAu3]
_chemical_formula_sum '[Cd8 Sn4 Au12]'
_cell_volume [556.1323]
_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  8  0.1682  0.4988  0.0844  1
  Sn  Sn1  4  0.0000  0.0049  0.7500  1
  Au  Au2  8  0.1653  0.0012  0.5820  1
  Au  Au3  4  0.0000  0.4953  0.2500  1
]