data_[Li8Hf2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1510]
_cell_length_b [8.8979]
_cell_length_c [5.1976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4HfIrO6]
_chemical_formula_sum '[Li8 Hf2 Ir2 O12]'
_cell_volume [225.0304]
_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
[
  Li  Li0  2  0.0000  0.3469  0.5000  1
  Li  Li1  2  0.0000  0.5007  0.0000  1
  Li  Li2  2  0.0000  0.6613  0.5000  1
  Li  Li3  2  0.0000  0.9883  0.5000  1
  Hf  Hf4  2  0.0000  0.1654  0.0000  1
  Ir  Ir5  2  0.0000  0.8339  0.0000  1
  O  O6  4  0.2414  0.9977  0.2446  1
  O  O7  4  0.2451  0.8312  0.7613  1
  O  O8  4  0.2467  0.6728  0.2417  1
]