data_[La4Ce24Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2540]
_cell_length_b [13.0691]
_cell_length_c [7.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La(Ce2Ir)3]
_chemical_formula_sum '[La4 Ce24 Ir12]'
_cell_volume [1069.1957]
_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  0.0000  0.3184  0.0124  1
  Ce  Ce1  8  0.1662  0.4508  0.6584  1
  Ce  Ce2  8  0.2335  0.1843  0.8233  1
  Ce  Ce3  4  0.0000  0.0306  0.1843  1
  Ce  Ce4  4  0.0000  0.2259  0.5230  1
  Ir  Ir5  8  0.1933  0.0984  0.4715  1
  Ir  Ir6  4  0.0000  0.4197  0.3594  1
]