data_[La4Ce12Ir8]
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 [C2/m]
_cell_length_a [16.6674]
_cell_length_b [4.6062]
_cell_length_c [8.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCe3Ir2]
_chemical_formula_sum '[La4 Ce12 Ir8]'
_cell_volume [580.6357]
_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  0.1096  0.0000  0.0255  1.0
  Ce  Ce1  4  0.0708  0.0000  0.4307  1.0
  Ce  Ce2  4  0.1232  0.5000  0.6938  1.0
  Ce  Ce3  4  0.2092  0.5000  0.3652  1.0
  Ir  Ir4  4  0.0240  0.5000  0.1985  1.0
  Ir  Ir5  4  0.2342  0.0000  0.8805  1.0
]