data_[Ce4Ru4Pb4]
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 [12.0252]
_cell_length_b [4.9533]
_cell_length_c [5.0766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeRuPb]
_chemical_formula_sum '[Ce4 Ru4 Pb4]'
_cell_volume [292.2487]
_cell_formula_units_Z [4]
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  0.1393  0.5000  0.8269  1.0
  Ru  Ru1  4  0.1907  0.5000  0.3027  1.0
  Pb  Pb2  4  0.0851  0.0000  0.3113  1.0
]