data_[La12Ru4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9742]
_cell_length_b [5.8222]
_cell_length_c [12.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3RuPb]
_chemical_formula_sum '[La12 Ru4 Pb4]'
_cell_volume [603.2227]
_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
[
  La  La0  4  0.0940  0.5353  0.8410  1.0
  La  La1  4  0.2067  0.0751  0.0523  1.0
  La  La2  4  0.4565  0.5403  0.1222  1.0
  Ru  Ru3  4  0.1322  0.6543  0.0865  1.0
  Pb  Pb4  4  0.3264  0.5158  0.3325  1.0
]