data_[Cd4Pb8]
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 [C2/m]
_cell_length_a [6.1184]
_cell_length_b [3.5769]
_cell_length_c [16.1368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPb2]
_chemical_formula_sum '[Cd4 Pb8]'
_cell_volume [352.4292]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  4  0.0957  0.0000  0.3406  1.0
  Pb  Pb3  4  0.2150  0.5000  0.1610  1.0
]