data_[K3Ba6Ir9O36]
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 [R-3m]
_cell_length_a [7.3089]
_cell_length_b [7.3089]
_cell_length_c [17.1861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KBa2(IrO4)3]
_chemical_formula_sum '[K3 Ba6 Ir9 O36]'
_cell_volume [795.0844]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  6  0.0000  0.0000  0.3928  1.0
  Ir  Ir2  9  0.0000  0.5000  0.5000  1.0
  O  O3  18  0.0528  0.5264  0.8128  1.0
  O  O4  18  0.0713  0.5357  0.3965  1.0
]