data_[Ce2Pb4Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6820]
_cell_length_b [5.6820]
_cell_length_c [18.7919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CePb2Au9]
_chemical_formula_sum '[Ce2 Pb4 Au18]'
_cell_volume [525.4226]
_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  2  0.3333  0.6667  0.7500  1
  Pb  Pb1  4  0.3333  0.6667  0.5341  1
  Au  Au2  12  0.1677  0.3354  0.1253  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.2500  1
  Au  Au5  2  0.3333  0.6667  0.2500  1
]