data_[Hf1Ta3V8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1001]
_cell_length_b [5.1001]
_cell_length_c [8.2023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfTa3V8]
_chemical_formula_sum '[Hf1 Ta3 V8]'
_cell_volume [184.7661]
_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  0.4371  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0593  1.0
  Ta  Ta2  1  0.6667  0.3333  0.5663  1.0
  Ta  Ta3  1  0.6667  0.3333  0.9370  1.0
  V  V4  3  0.1636  0.8364  0.7534  1.0
  V  V5  3  0.5037  0.0074  0.2467  1.0
  V  V6  1  0.3333  0.6667  0.5004  1.0
  V  V7  1  0.3333  0.6667  0.9994  1.0
]