data_HfTaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   145.67
_cell_angle_beta   145.67
_cell_angle_gamma   49.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaV
_chemical_formula_sum   'Hf1 Ta1 V1'
_cell_volume   54.02
_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  0.0  0.0  0.04  1.0
  Ta  Ta1  1  0.0  0.0  0.93  1.0
  V  V2  1  0.0  0.0  0.2  1.0

data_HfTaV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   114.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTaV
_chemical_formula_sum   'Hf2 Ta2 V2'
_cell_volume   108.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.96  1.0
  Ta  Ta1  2  0.0  0.0  0.07  1.0
  V  V2  2  0.0  0.0  0.8  1.0

Hf Ta V
Hf Ta V 0 1 o o - 0 2 o o o 
HfTaV is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfTaV clusters. Hf(1) is bonded in a linear geometry to one Ta(1) and one V(1) atom. The Hf(1)-Ta(1) bond length is 0.60 Å. The Hf(1)-V(1) bond length is 0.91 Å. Ta(1) is bonded in a single-bond geometry to one Hf(1) atom. V(1) is bonded in a single-bond geometry to one Hf(1) atom.