data_[La12Ir2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2728]
_cell_length_b [9.2461]
_cell_length_c [12.9865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6IrPb3]
_chemical_formula_sum '[La12 Ir2 Pb6]'
_cell_volume [671.6950]
_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  4  0.1193  0.5341  0.7294  1.0
  La  La1  4  0.1372  0.1893  0.5582  1.0
  La  La2  4  0.4583  0.6524  0.5605  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  4  0.3315  0.6252  0.2399  1.0
  Pb  Pb5  2  0.5000  0.0000  0.5000  1.0
]