data_VBi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.96
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   41.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Se
_chemical_formula_sum   'V1 Bi2 Se1'
_cell_volume   99.42
_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
  V  V3  1  0.7  0.0  0.48  1.0
  Bi  Bi0  1  0.54  0.0  0.19  1.0
  Bi  Bi1  1  0.78  0.0  0.8  1.0
  Se  Se2  1  0.08  0.0  0.48  1.0

data_VBi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.74
_cell_length_c   6.96
_cell_angle_alpha   106.42
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Se
_chemical_formula_sum   'V1 Bi2 Se1'
_cell_volume   99.42
_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
  V  V0  1  0.0  0.3  0.52  1.0
  Bi  Bi1  1  0.0  0.22  0.2  1.0
  Bi  Bi2  1  0.0  0.46  0.81  1.0
  Se  Se3  1  0.0  0.92  0.52  1.0

V Bi Bi Se
VBi2Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one VBi2Se cluster. V(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Se(1) atom. The V(1)-Bi(1) bond length is 1.97 Å. The V(1)-Bi(2) bond length is 2.16 Å. The V(1)-Se(1) bond length is 1.81 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one V(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one V(1) atom. Se(1) is bonded in a distorted single-bond geometry to one V(1) atom.