data_[Hf3Nb6V27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1936]
_cell_length_b [5.1936]
_cell_length_c [23.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HfNb2V9]
_chemical_formula_sum '[Hf3 Nb6 V27]'
_cell_volume [555.0241]
_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  0.0000  1.0
  Nb  Nb1  6  0.0000  0.0000  0.1451  1.0
  V  V2  18  0.0026  0.5013  0.9171  1.0
  V  V3  6  0.0000  0.0000  0.3329  1.0
  V  V4  3  -0.0000  -0.0000  0.5000  1.0
]