data_[Li2Ir2O6]
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/m]
_cell_length_a [5.2883]
_cell_length_b [3.1338]
_cell_length_c [7.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiIrO3]
_chemical_formula_sum '[Li2 Ir2 O6]'
_cell_volume [124.1705]
_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  0.1118  0.7500  0.3852  1
  Ir  Ir1  2  0.4181  0.7500  0.8129  1
  O  O2  2  0.1063  0.7500  0.6517  1
  O  O3  2  0.3170  0.2500  0.9594  1
  O  O4  2  0.4317  0.7500  0.2893  1
]