data_[La24Ir8Pb8]
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 [Cmce]
_cell_length_a [14.4514]
_cell_length_b [12.0786]
_cell_length_c [7.4365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La3IrPb]
_chemical_formula_sum '[La24 Ir8 Pb8]'
_cell_volume [1298.0521]
_cell_formula_units_Z [8]
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  16  0.1373  0.1774  0.8755  1.0
  La  La1  8  0.0000  0.0674  0.2906  1.0
  Ir  Ir2  8  0.0000  0.2026  0.6010  1.0
  Pb  Pb3  8  0.2500  0.0688  0.2500  1.0
]