data_[Cd2Pb13]
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-1]
_cell_length_a [5.9291]
_cell_length_b [9.0119]
_cell_length_c [9.4931]
_cell_angle_alpha [68.7457]
_cell_angle_beta [83.6688]
_cell_angle_gamma [89.3655]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2Pb13]
_chemical_formula_sum '[Cd2 Pb13]'
_cell_volume [469.6277]
_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  0.1329  0.2675  0.2010  1.0
  Pb  Pb1  2  0.0669  0.1295  0.5948  1.0
  Pb  Pb2  2  0.2046  0.4020  0.8061  1.0
  Pb  Pb3  2  0.2701  0.5334  0.4018  1.0
  Pb  Pb4  2  0.3313  0.6623  0.9967  1.0
  Pb  Pb5  2  0.4033  0.7978  0.6065  1.0
  Pb  Pb6  2  0.4686  0.9409  0.2000  1.0
  Pb  Pb7  1  0.0000  0.0000  0.0000  1.0
]