data_[Ba6Tb3Ir9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  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 [7.3182]
_cell_length_b [7.3182]
_cell_length_c [16.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Tb(IrO4)3]
_chemical_formula_sum '[Ba6 Tb3 Ir9 O36]'
_cell_volume [777.6993]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3864  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Ir  Ir2  9  0.0000  0.5000  0.5000  1.0
  O  O3  18  0.0069  0.5034  0.3862  1.0
  O  O4  18  0.0530  0.5265  0.8292  1.0
]