data_[Li2Ir2O8]
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 [P2/c]
_cell_length_a [4.5143]
_cell_length_b [3.1188]
_cell_length_c [9.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiIrO4]
_chemical_formula_sum '[Li2 Ir2 O8]'
_cell_volume [126.9836]
_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  0.0000  0.0000  1
  Ir  Ir1  2  0.5000  0.4343  0.7500  1
  O  O2  4  0.2209  0.4804  0.1106  1
  O  O3  4  0.3074  0.0303  0.3468  1
]