data_[Ce12Ru6Pb2]
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 [P2_1/m]
_cell_length_a [11.2729]
_cell_length_b [4.0171]
_cell_length_c [12.2122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6Ru3Pb]
_chemical_formula_sum '[Ce12 Ru6 Pb2]'
_cell_volume [535.6861]
_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  0.0832  0.7500  0.9071  1
  Ce  Ce1  2  0.1713  0.2500  0.4629  1
  Ce  Ce2  2  0.2229  0.7500  0.2248  1
  Ce  Ce3  2  0.2980  0.7500  0.7434  1
  Ce  Ce4  2  0.3847  0.2500  0.0406  1
  Ce  Ce5  2  0.4925  0.7500  0.3748  1
  Ru  Ru6  2  0.1565  0.2500  0.0764  1
  Ru  Ru7  2  0.3380  0.7500  0.5206  1
  Ru  Ru8  2  0.4769  0.2500  0.8377  1
  Pb  Pb9  2  0.0462  0.2500  0.6823  1
]