data_[Hf3Al3Fe6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1926]
_cell_length_b [5.1926]
_cell_length_c [13.7842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfAl(FeO3)2]
_chemical_formula_sum '[Hf3 Al3 Fe6 O18]'
_cell_volume [321.8720]
_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
[
  Hf  Hf0  3  0.0000  0.0000  0.3160  1.0
  Al  Al1  3  0.0000  0.0000  0.8168  1.0
  Fe  Fe2  3  0.0000  0.0000  0.0246  1.0
  Fe  Fe3  3  0.0000  0.0000  0.5249  1.0
  O  O4  9  0.0222  0.6873  0.4147  1.0
  O  O5  9  0.0229  0.2977  0.9118  1.0
]