data_[Ce4Bi12Pb12]
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 [Cmmm]
_cell_length_a [9.2562]
_cell_length_b [10.4618]
_cell_length_c [9.7131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(BiPb)3]
_chemical_formula_sum '[Ce4 Bi12 Pb12]'
_cell_volume [940.5727]
_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  4  0.0000  0.2284  0.0000  1
  Bi  Bi1  8  0.2500  0.2500  0.2475  1
  Bi  Bi2  4  0.0000  0.0000  0.2453  1
  Pb  Pb3  4  0.0000  0.2606  0.5000  1
  Pb  Pb4  4  0.2182  0.5000  0.0000  1
  Pb  Pb5  4  0.2442  0.5000  0.5000  1
]