data_[Ce20Sn8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9254]
_cell_length_b [8.4515]
_cell_length_c [8.4779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(SnPb)2]
_chemical_formula_sum '[Ce20 Sn8 Pb8]'
_cell_volume [1141.0755]
_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
[
  Ce  Ce0  16  0.1413  0.1775  0.6746  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.2059  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1287  0.3694  1.0
]