data_[Cd1Pb1Au2]
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 [Pm]
_cell_length_a [3.6929]
_cell_length_b [4.5578]
_cell_length_c [5.6997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CdPbAu2]
_chemical_formula_sum '[Cd1 Pb1 Au2]'
_cell_volume [92.1370]
_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  1  0.1056  0.0000  0.5816  1.0
  Pb  Pb1  1  0.3968  0.5000  0.1808  1.0
  Au  Au2  1  0.6622  0.5000  0.7048  1.0
  Au  Au3  1  0.8354  0.0000  0.0328  1.0
]