data_[Na3La3Ce6Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4494]
_cell_length_b [5.4494]
_cell_length_c [28.5525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaLa(CePb2)2]
_chemical_formula_sum '[Na3 La3 Ce6 Pb12]'
_cell_volume [734.3065]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  -0.0000  -0.0000  0.5000  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  6  0.0000  0.0000  0.2403  1.0
  Pb  Pb3  6  0.0000  0.0000  0.1248  1.0
  Pb  Pb4  6  0.0000  0.0000  0.3769  1.0
]