data_[Ce6Mg8Pb8]
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 [Amm2]
_cell_length_a [9.4149]
_cell_length_b [4.5909]
_cell_length_c [14.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce3(MgPb)4]
_chemical_formula_sum '[Ce6 Mg8 Pb8]'
_cell_volume [633.0867]
_cell_formula_units_Z [2]
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  0.2487  0.0000  0.3963  1.0
  Ce  Ce1  2  0.0000  0.0000  0.2796  1.0
  Mg  Mg2  4  0.2526  0.0000  0.0916  1.0
  Mg  Mg3  2  0.0000  0.0000  0.5954  1.0
  Mg  Mg4  2  0.5000  0.0000  0.5923  1.0
  Pb  Pb5  4  0.2572  0.0000  0.7249  1.0
  Pb  Pb6  2  0.0000  0.0000  0.9562  1.0
  Pb  Pb7  2  0.5000  0.0000  0.9491  1.0
]