data_[Hf3Ti3V6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2651]
_cell_length_b [5.2651]
_cell_length_c [14.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfTiV2O6]
_chemical_formula_sum '[Hf3 Ti3 V6 O18]'
_cell_volume [344.8281]
_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  0.3141  1
  Ti  Ti1  3  0.0000  0.0000  0.8134  1
  V  V2  3  0.0000  0.0000  0.0172  1
  V  V3  3  0.0000  0.0000  0.5181  1
  O  O4  9  0.0059  0.6347  0.0847  1
  O  O5  9  0.0209  0.3089  0.9148  1
]