data_[K2Cu2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4911]
_cell_length_b [8.7825]
_cell_length_c [5.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KCuIrO6]
_chemical_formula_sum '[K2 Cu2 Ir2 O12]'
_cell_volume [282.2128]
_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  2  0.0000  0.0310  0.0000  1.0
  Cu  Cu1  2  0.0000  0.3395  0.5000  1.0
  Ir  Ir2  2  0.0000  0.6787  0.5000  1.0
  O  O3  4  0.1048  0.4984  0.6820  1.0
  O  O4  4  0.1554  0.7893  0.7217  1.0
  O  O5  4  0.1935  0.1880  0.6507  1.0
]