data_[Ce12H4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3972]
_cell_length_b [5.9006]
_cell_length_c [7.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3HPb2]
_chemical_formula_sum '[Ce12 H4 Pb8]'
_cell_volume [587.1943]
_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  8  0.0872  0.0503  0.1061  1
  Ce  Ce1  4  0.0000  0.4310  0.2500  1
  H  H2  4  0.0000  0.1761  0.7500  1
  Pb  Pb3  8  0.2051  0.4712  0.5693  1
]