data_[Na4Li2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  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 [5.4472]
_cell_length_b [5.5700]
_cell_length_c [9.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2LiIrO6]
_chemical_formula_sum '[Na4 Li2 Ir2 O12]'
_cell_volume [233.7838]
_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
[
  Na  Na0  4  0.2411  0.0466  0.2508  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1407  0.2230  0.9558  1.0
  O  O4  4  0.2388  0.6895  0.9607  1.0
  O  O5  4  0.3158  0.0210  0.7357  1.0
]