data_[Th2Cd6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4867]
_cell_length_b [8.4867]
_cell_length_c [4.2085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Th2(Cd2Au)3]
_chemical_formula_sum '[Th2 Cd6 Au3]'
_cell_volume [262.5031]
_cell_formula_units_Z [1]
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
[
  Th  Th0  2  0.3333  0.6667  0.0000  1
  Cd  Cd1  3  0.0000  0.1970  0.0000  1
  Cd  Cd2  3  0.0000  0.7229  0.5000  1
  Au  Au3  3  0.0000  0.4065  0.5000  1
]