data_HfV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   135.32
_cell_angle_beta   135.32
_cell_angle_gamma   65.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Se
_chemical_formula_sum   'Hf1 V2 Se1'
_cell_volume   63.76
_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  0.93  0.0  0.14  1.0
  V  V2  1  0.0  0.93  0.14  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.28  1.0

data_HfV2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.08
_cell_angle_alpha   112.34
_cell_angle_beta   112.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Se
_chemical_formula_sum   'Hf1 V2 Se1'
_cell_volume   63.76
_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  0.14  0.21  0.21  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.21  0.14  0.21  1.0
  Se  Se3  1  0.28  0.28  0.28  1.0

Hf V V Se
HfV2Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfV2Se cluster. Hf(1) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one Se(1) atom. The Hf(1)-V(1) bond length is 0.38 Å. The Hf(1)-V(2) bond length is 1.00 Å. The Hf(1)-Se(1) bond length is 0.52 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one Hf(1), one V(2), and one Se(1) atom. The V(1)-V(2) bond length is 1.00 Å. The V(1)-Se(1) bond length is 0.52 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to one Hf(1) and one V(1) atom. Se(1) is bonded in a 2-coordinate geometry to one Hf(1) and one V(1) atom.