data_[Ac6Hf3Ti9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1269]
_cell_length_b [7.1269]
_cell_length_c [15.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2HfTi3O12]
_chemical_formula_sum '[Ac6 Hf3 Ti9 O36]'
_cell_volume [700.2209]
_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
[
  Ac  Ac0  6  0.0000  0.0000  0.3858  1
  Hf  Hf1  3  0.0000  0.0000  0.0000  1
  Ti  Ti2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0191  0.5095  0.3730  1
  O  O4  18  0.0700  0.5350  0.8130  1
]