data_[Cd12Sn4Au4]
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 [P2_1/c]
_cell_length_a [7.4252]
_cell_length_b [7.0887]
_cell_length_c [9.9685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3SnAu]
_chemical_formula_sum '[Cd12 Sn4 Au4]'
_cell_volume [480.3262]
_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  0.1013  0.1218  0.2973  1.0
  Cd  Cd1  4  0.2321  0.0495  0.0290  1.0
  Cd  Cd2  4  0.4205  0.6997  0.9389  1.0
  Sn  Sn3  4  0.3359  0.0575  0.7216  1.0
  Au  Au4  4  0.0735  0.6844  0.9861  1.0
]