data_[La12Ir4Pb4]
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 [Pnma]
_cell_length_a [8.7087]
_cell_length_b [4.6767]
_cell_length_c [15.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La3IrPb]
_chemical_formula_sum '[La12 Ir4 Pb4]'
_cell_volume [630.9620]
_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  0.0206  0.7500  0.3939  1
  La  La1  4  0.1481  0.7500  0.9931  1
  La  La2  4  0.1855  0.2500  0.2124  1
  Ir  Ir3  4  0.1748  0.7500  0.5573  1
  Pb  Pb4  4  0.0952  0.2500  0.8249  1
]