data_[La12Ir2Rh4I4]
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
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3373]
_cell_length_b [12.7362]
_cell_length_c [8.5107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir(RhI)2]
_chemical_formula_sum '[La12 Ir2 Rh4 I4]'
_cell_volume [760.7517]
_cell_formula_units_Z [2]
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  0.2292  0.1661  0.6862  1.0
  La  La1  4  0.2298  0.5000  0.6851  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh3  4  0.0000  0.3311  0.5000  1.0
  I  I4  4  0.0000  0.1660  0.0000  1.0
]