data_[La4Ce4Ir8]
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 [P2_1/c]
_cell_length_a [8.4973]
_cell_length_b [5.8414]
_cell_length_c [7.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaCeIr2]
_chemical_formula_sum '[La4 Ce4 Ir8]'
_cell_volume [372.5522]
_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  0.1256  0.6464  0.8232  1.0
  Ce  Ce1  4  0.3766  0.1538  0.6767  1.0
  Ir  Ir2  4  0.1408  0.1520  0.9491  1.0
  Ir  Ir3  4  0.3882  0.6716  0.5584  1.0
]