data_[Cd4Sn12Au12]
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/m]
_cell_length_a [8.2706]
_cell_length_b [11.6361]
_cell_length_c [7.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(SnAu)3]
_chemical_formula_sum '[Cd4 Sn12 Au12]'
_cell_volume [687.0505]
_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  0.2440  0.0000  0.8917  1
  Sn  Sn1  4  0.0000  0.1434  0.5000  1
  Sn  Sn2  4  0.0000  0.2171  0.0000  1
  Sn  Sn3  4  0.0480  0.5000  0.7034  1
  Au  Au4  8  0.1806  0.3087  0.3219  1
  Au  Au5  4  0.1066  0.0000  0.2220  1
]