data_[Sr6Hf3Ir9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  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 [7.2648]
_cell_length_b [7.2648]
_cell_length_c [18.3343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Hf(IrO4)3]
_chemical_formula_sum '[Sr6 Hf3 Ir9 O36]'
_cell_volume [837.9893]
_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
[
  Sr  Sr0  6  0.0000  0.0000  0.3078  1
  Hf  Hf1  3  0.0000  0.0000  0.0000  1
  Ir  Ir2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0531  0.5265  0.6064  1
  O  O4  18  0.0761  0.5380  0.8541  1
]