data_[Hf3Zr1V8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2220]
_cell_length_b [5.2220]
_cell_length_c [8.3055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf3ZrV8]
_chemical_formula_sum '[Hf3 Zr1 V8]'
_cell_volume [196.1425]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9374  1
  Hf  Hf1  1  0.6667  0.3333  0.0635  1
  Hf  Hf2  1  0.6667  0.3333  0.4355  1
  Zr  Zr3  1  0.0000  0.0000  0.5638  1
  V  V4  3  0.1633  0.3266  0.2486  1
  V  V5  3  0.5039  0.0078  0.7513  1
  V  V6  1  0.3333  0.6667  0.0005  1
  V  V7  1  0.3333  0.6667  0.4998  1
]