data_[La12Ir4Rh2I4]
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 [7.3772]
_cell_length_b [12.7957]
_cell_length_c [8.5705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2RhI2]
_chemical_formula_sum '[La12 Ir4 Rh2 I4]'
_cell_volume [774.4878]
_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  0.2295  0.1673  0.6845  1.0
  La  La1  4  0.2271  0.5000  0.6831  1.0
  Ir  Ir2  4  0.0000  0.3314  0.5000  1.0
  Rh  Rh3  2  0.0000  0.0000  0.5000  1.0
  I  I4  4  0.0000  0.1661  0.0000  1.0
]