data_[K6Bi3Ir9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  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 [7.2815]
_cell_length_b [7.2815]
_cell_length_c [18.1813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Bi(IrO4)3]
_chemical_formula_sum '[K6 Bi3 Ir9 O36]'
_cell_volume [834.8286]
_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  6  0.0000  0.0000  0.3718  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0000  1.0
  Ir  Ir2  9  0.0000  0.5000  0.5000  1.0
  O  O3  18  0.0289  0.5145  0.6071  1.0
  O  O4  18  0.0754  0.5377  0.8429  1.0
]