data_[Na4Li2Ir4O12]
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 [C2/m]
_cell_length_a [5.3727]
_cell_length_b [8.6178]
_cell_length_c [5.7143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Li(IrO3)2]
_chemical_formula_sum '[Na4 Li2 Ir4 O12]'
_cell_volume [256.0198]
_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  0.0000  0.1706  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  4  0.0000  0.3471  0.5000  1.0
  O  O3  8  0.2183  0.1775  0.6847  1.0
  O  O4  4  0.2286  0.5000  0.7229  1.0
]