data_[La20Ir8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.1317]
_cell_length_b [6.7644]
_cell_length_c [7.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Ir2]
_chemical_formula_sum '[La20 Ir8]'
_cell_volume [854.3717]
_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  8  0.0927  0.1034  0.4166  1.0
  La  La1  8  0.2156  0.4301  0.8202  1.0
  La  La2  4  0.0000  0.4274  0.7500  1.0
  Ir  Ir3  8  0.1118  0.2961  0.0816  1.0
]