data_[Ce8Ru2Pb6]
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 [Pmmn]
_cell_length_a [6.2741]
_cell_length_b [12.5608]
_cell_length_c [6.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce4RuPb3]
_chemical_formula_sum '[Ce8 Ru2 Pb6]'
_cell_volume [497.9521]
_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  0.2137  0.7368  1
  Ce  Ce1  2  0.0000  0.0000  0.1799  1
  Ce  Ce2  2  0.0000  0.5000  0.1884  1
  Ru  Ru3  2  0.0000  0.0000  0.7910  1
  Pb  Pb4  4  0.0000  0.2501  0.2356  1
  Pb  Pb5  2  0.0000  0.5000  0.6836  1
]