data_[Cd3Pb6]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1476]
_cell_length_b [8.1476]
_cell_length_c [4.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CdPb2]
_chemical_formula_sum '[Cd3 Pb6]'
_cell_volume [268.5626]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.0000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  3  0.0000  0.3979  0.5000  1.0
  Pb  Pb3  3  0.0000  0.7356  0.0000  1.0
]