data_VCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   133.08
_cell_angle_beta   133.08
_cell_angle_gamma   68.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Se
_chemical_formula_sum   'V1 Co2 Se1'
_cell_volume   49.03
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.81  0.0  0.88  1.0
  Co  Co1  1  0.0  0.0  0.75  1.0
  Se  Se2  1  0.0  0.81  0.88  1.0

data_VCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.54
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Se
_chemical_formula_sum   'V1 Co2 Se1'
_cell_volume   49.03
_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  0.0  0.0  1.0
  Co  Co1  1  0.12  0.0  0.93  1.0
  Co  Co2  1  0.25  0.0  0.25  1.0
  Se  Se3  1  0.93  0.81  0.93  1.0

V Co Co Se
V Co Co Se 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 
Co2VSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Co2VSe cluster. V(1) is bonded in a distorted water-like geometry to one Co(1), one Co(2), and one Se(1) atom. The V(1)-Co(1) bond length is 0.64 Å. The V(1)-Co(2) bond length is 1.13 Å. The V(1)-Se(1) bond length is 0.64 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one V(1) atom. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one V(1) and one Se(1) atom. The Co(2)-Se(1) bond length is 1.32 Å. Se(1) is bonded in a single-bond geometry to one V(1) and one Co(2) atom.