data_[La6Ru2Pb2]
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 [P-1]
_cell_length_a [6.2709]
_cell_length_b [6.8458]
_cell_length_c [7.2294]
_cell_angle_alpha [75.9436]
_cell_angle_beta [83.6513]
_cell_angle_gamma [89.2280]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3RuPb]
_chemical_formula_sum '[La6 Ru2 Pb2]'
_cell_volume [299.1852]
_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
[
  La  La0  2  0.1887  0.3667  0.8070  1.0
  La  La1  2  0.2233  0.8487  0.4559  1.0
  La  La2  2  0.3433  0.8339  0.9453  1.0
  Ru  Ru3  2  0.0657  0.0834  0.1631  1.0
  Pb  Pb4  2  0.2812  0.3855  0.3113  1.0
]