data_[Hf8V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0723]
_cell_length_b [3.2409]
_cell_length_c [8.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2V]
_chemical_formula_sum '[Hf8 V4]'
_cell_volume [233.0690]
_cell_formula_units_Z [4]
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  0.1020  0.5000  0.3281  1
  Hf  Hf1  4  0.1613  0.0000  0.0588  1
  V  V2  4  0.0958  0.0000  0.6218  1
]