data_[La12Ir6I2Cl4]
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 [19.9302]
_cell_length_b [4.2088]
_cell_length_c [9.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir3ICl2]
_chemical_formula_sum '[La12 Ir6 I2 Cl4]'
_cell_volume [725.8384]
_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  0.0124  0.0000  0.7145  1.0
  La  La1  4  0.1572  0.5000  0.6087  1.0
  La  La2  4  0.1808  0.5000  0.0535  1.0
  Ir  Ir3  4  0.1670  0.0000  0.8293  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1690  0.0000  0.3366  1.0
]