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 [Cm]
_cell_length_a [18.9832]
_cell_length_b [4.0944]
_cell_length_c [8.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3IrPb]
_chemical_formula_sum '[La12 Ir4 Pb4]'
_cell_volume [640.0214]
_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  2  0.0114  0.0000  0.7500  1.0
  La  La1  2  0.1074  0.0000  0.4106  1.0
  La  La2  2  0.1994  0.5000  0.8463  1.0
  La  La3  2  0.2755  0.5000  0.2786  1.0
  La  La4  2  0.3286  0.0000  0.6999  1.0
  La  La5  2  0.4224  0.5000  0.0997  1.0
  Ir  Ir6  2  0.2226  0.5000  0.5405  1.0
  Ir  Ir7  2  0.3054  0.0000  0.0409  1.0
  Pb  Pb8  2  0.0734  0.5000  0.0698  1.0
  Pb  Pb9  2  0.4433  0.0000  0.4292  1.0
]