data_[La12Ir4Br6O2]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0112]
_cell_length_b [12.1723]
_cell_length_c [8.2329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2Br3O]
_chemical_formula_sum '[La12 Ir4 Br6 O2]'
_cell_volume [673.4966]
_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  0.2222  0.1573  0.1945  1
  La  La1  4  0.2485  0.0000  0.8047  1
  Ir  Ir2  4  0.0000  0.3341  0.0000  1
  Br  Br3  4  0.0000  0.1742  0.5000  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  O  O5  2  0.0000  0.0000  0.0000  1
]