data_[Hf4Al6V2]
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
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2920]
_cell_length_b [5.2920]
_cell_length_c [8.6485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Hf2Al3V]
_chemical_formula_sum '[Hf4 Al6 V2]'
_cell_volume [209.7530]
_cell_formula_units_Z [2]
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  4  0.3333  0.6667  0.0522  1.0
  Al  Al1  6  0.1682  0.8318  0.7500  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
]