data_[Ce16Bi4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8326]
_cell_length_b [5.4323]
_cell_length_c [7.6840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Bi2Pb]
_chemical_formula_sum '[Ce16 Bi4 Pb2]'
_cell_volume [604.1055]
_cell_formula_units_Z [2]
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  4  0.0448  0.0000  0.7833  1
  Ce  Ce1  4  0.0819  0.5000  0.4880  1
  Ce  Ce2  4  0.1420  0.0000  0.1716  1
  Ce  Ce3  4  0.1850  0.5000  0.8787  1
  Bi  Bi4  4  0.2181  0.0000  0.6477  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]