data_[Li4Ir4O4]
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_1/c]
_cell_length_a [6.5476]
_cell_length_b [4.2382]
_cell_length_c [5.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiIrO]
_chemical_formula_sum '[Li4 Ir4 O4]'
_cell_volume [135.8827]
_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  0.4149  0.2416  0.4812  1
  Ir  Ir1  4  0.1079  0.6755  0.3757  1
  O  O2  4  0.3501  0.5824  0.7041  1
]