data_[Ce8Mg12Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.5938]
_cell_length_b [16.7433]
_cell_length_c [8.7297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce2Mg3Pb4]
_chemical_formula_sum '[Ce8 Mg12 Pb16]'
_cell_volume [963.7689]
_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  0.1152  0.5806  1.0
  Mg  Mg1  8  0.2500  0.2149  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1821  0.9472  1.0
  Pb  Pb4  8  0.2500  0.0432  0.2500  1.0
]