data_[Cd21Pb18]
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 [R-3m]
_cell_length_a [5.8882]
_cell_length_b [5.8882]
_cell_length_c [35.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd7Pb6]
_chemical_formula_sum '[Cd21 Pb18]'
_cell_volume [1060.1881]
_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  18  0.0028  0.5014  0.9078  1.0
  Cd  Cd1  3  -0.0000  -0.0000  0.5000  1.0
  Pb  Pb2  6  0.0000  0.0000  0.0482  1.0
  Pb  Pb3  6  0.0000  0.0000  0.1526  1.0
  Pb  Pb4  6  0.0000  0.0000  0.3389  1.0
]