data_[La12Ir4I6Cl2]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5309]
_cell_length_b [13.0478]
_cell_length_c [8.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2I3Cl]
_chemical_formula_sum '[La12 Ir4 I6 Cl2]'
_cell_volume [797.4663]
_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  0.2460  0.1804  0.1915  1
  La  La1  4  0.2023  0.5000  0.1897  1
  Ir  Ir2  4  0.0000  0.3326  0.0000  1
  I  I3  4  0.0000  0.1608  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]