data_[Li8Ir4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.3473]
_cell_length_b [8.5315]
_cell_length_c [5.2115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2IrO3]
_chemical_formula_sum '[Li8 Ir4 O12]'
_cell_volume [223.0615]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.1628  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir3  4  0.0000  0.3448  0.0000  1.0
  O  O4  8  0.2420  0.1746  0.2201  1.0
  O  O5  4  0.2435  0.0000  0.7375  1.0
]