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 [C2/m]
_cell_length_a [12.4688]
_cell_length_b [5.3921]
_cell_length_c [10.0845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3RuPb]
_chemical_formula_sum '[La12 Ru4 Pb4]'
_cell_volume [625.3386]
_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  0.1222  0.0000  0.2391  1.0
  La  La1  4  0.1300  0.5000  0.9319  1.0
  La  La2  4  0.1304  0.0000  0.6551  1.0
  Ru  Ru3  4  0.1034  0.0000  0.9386  1.0
  Pb  Pb4  4  0.0984  0.5000  0.4317  1.0
]