data_[K4Ba4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [6.5276]
_cell_length_b [10.9383]
_cell_length_c [6.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ba2IrO6]
_chemical_formula_sum '[K4 Ba4 Ir2 O12]'
_cell_volume [457.6150]
_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  0.1444  0.0000  1.0
  Ba  Ba1  4  0.0000  0.3383  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1694  0.1309  0.6711  1.0
  O  O4  4  0.2013  0.0000  0.3133  1.0
]