data_[Cd2Pb2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4527]
_cell_length_b [6.1675]
_cell_length_c [6.4022]
_cell_angle_alpha [85.7682]
_cell_angle_beta [89.7373]
_cell_angle_gamma [75.8017]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2Pb2Au]
_chemical_formula_sum '[Cd2 Pb2 Au1]'
_cell_volume [131.7946]
_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
[
  Cd  Cd0  2  0.4118  0.1709  0.3160  1
  Pb  Pb1  2  0.3146  0.3675  0.7588  1
  Au  Au2  1  0.0000  0.0000  0.0000  1
]