data_[K4Li6Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [5.7901]
_cell_length_b [11.8292]
_cell_length_c [5.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Li3IrO6]
_chemical_formula_sum '[K4 Li6 Ir2 O12]'
_cell_volume [324.1305]
_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
[
  K  K0  4  0.0000  0.3195  0.0000  1.0
  Li  Li1  4  0.0000  0.1012  0.5000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.1983  0.1142  0.2576  1.0
  O  O5  4  0.2154  0.0000  0.7845  1.0
]