data_[Hf6Ti3V27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2679]
_cell_length_b [5.2679]
_cell_length_c [23.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf2TiV9]
_chemical_formula_sum '[Hf6 Ti3 V27]'
_cell_volume [567.6509]
_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  6  0.0000  0.0000  0.1443  1
  Ti  Ti1  3  0.0000  0.0000  0.0000  1
  V  V2  18  0.0030  0.5015  0.9187  1
  V  V3  6  0.0000  0.0000  0.3329  1
  V  V4  3  -0.0000  -0.0000  0.5000  1
]