data_[Ce6Ru4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2010]
_cell_length_b [4.7906]
_cell_length_c [5.3184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ru2Pb3]
_chemical_formula_sum '[Ce6 Ru4 Pb6]'
_cell_volume [433.3781]
_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  0.1708  0.0000  0.5837  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.2162  0.0000  0.1048  1
  Pb  Pb3  4  0.1348  0.5000  0.0678  1
  Pb  Pb4  2  0.0000  0.5000  0.5000  1
]