data_[La4Cu2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5668]
_cell_length_b [5.9166]
_cell_length_c [9.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2CuIrO6]
_chemical_formula_sum '[La4 Cu2 Ir2 O12]'
_cell_volume [256.3579]
_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  0.2673  0.0669  0.7502  1.0
  Cu  Cu1  2  0.5000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1520  0.0301  0.2510  1.0
  O  O4  4  0.2368  0.7130  0.0554  1.0
  O  O5  4  0.3467  0.1891  0.0485  1.0
]