data_[Ce16Hg8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.4906]
_cell_length_b [15.5031]
_cell_length_c [6.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce4Hg2Pb3]
_chemical_formula_sum '[Ce16 Hg8 Pb12]'
_cell_volume [1058.2776]
_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  0.0000  0.2083  0.0250  1
  Ce  Ce1  8  0.2500  0.0790  0.2500  1
  Hg  Hg2  8  0.0000  0.0922  0.5325  1
  Pb  Pb3  8  0.2500  0.1719  0.7500  1
  Pb  Pb4  4  0.0000  0.0000  0.0000  1
]