data_[Cd2In4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0496]
_cell_length_b [15.4981]
_cell_length_c [5.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(InAu3)2]
_chemical_formula_sum '[Cd2 In4 Au12]'
_cell_volume [351.1241]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.1609  0.5000  1
  Au  Au2  8  0.1656  0.3309  0.8309  1
  Au  Au3  4  0.1611  0.5000  0.3282  1
]