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 [C2/m]
_cell_length_a [10.1531]
_cell_length_b [5.4090]
_cell_length_c [5.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2CuIrO6]
_chemical_formula_sum '[La4 Cu2 Ir2 O12]'
_cell_volume [256.0783]
_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  0.2490  0.5000  0.7354  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0628  0.2490  0.3119  1.0
  O  O4  4  0.2308  0.5000  0.1321  1.0
]