data_[Ce16Ge8Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3889]
_cell_length_b [12.3988]
_cell_length_c [8.6683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ge4Pb3]
_chemical_formula_sum '[Ce16 Ge8 Pb6]'
_cell_volume [953.8121]
_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  0.0000  0.2416  0.0000  1
  Ce  Ce1  4  0.0000  0.2423  0.5000  1
  Ce  Ce2  4  0.2308  0.0000  0.4796  1
  Ce  Ce3  4  0.2340  0.0000  0.9832  1
  Ge  Ge4  4  0.2500  0.2500  0.0000  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ge  Ge6  2  0.0000  0.0000  0.5000  1
  Pb  Pb7  4  0.2500  0.2500  0.5000  1
  Pb  Pb8  2  0.0000  0.5000  0.5000  1
]