data_[La12In2Ir4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6848]
_cell_length_b [4.3077]
_cell_length_c [9.7686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6InIr2I3]
_chemical_formula_sum '[La12 In2 Ir4 I6]'
_cell_volume [821.0825]
_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  4  0.0271  0.0000  0.2569  1
  La  La1  4  0.1651  0.5000  0.1396  1
  La  La2  4  0.1839  0.5000  0.5555  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1708  0.0000  0.3437  1
  I  I5  4  0.1608  0.0000  0.8396  1
  I  I6  2  0.0000  0.5000  0.5000  1
]