data_VCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   142.08
_cell_angle_beta   113.8
_cell_angle_gamma   78.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrSe2
_chemical_formula_sum   'V1 Cr1 Se2'
_cell_volume   63.96
_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
  Cr  Cr0  1  0.0  0.0  0.77  1.0
  Se  Se1  1  0.59  0.0  0.96  1.0
  Se  Se2  1  0.0  0.67  0.82  1.0

data_VCrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   66.2
_cell_angle_beta   71.04
_cell_angle_gamma   71.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrSe2
_chemical_formula_sum   'V1 Cr1 Se2'
_cell_volume   63.96
_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
  Cr  Cr1  1  0.0  0.0  0.77  1.0
  Se  Se2  1  0.0  0.41  0.96  1.0
  Se  Se3  1  0.67  0.0  0.15  1.0

V Cr Se Se
VCrSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one VCrSe2 cluster. V(1) is bonded in a 1-coordinate geometry to one Cr(1), one Se(1), and one Se(2) atom. The V(1)-Cr(1) bond length is 1.11 Å. The V(1)-Se(1) bond length is 1.94 Å. The V(1)-Se(2) bond length is 1.07 Å. Cr(1) is bonded in a distorted single-bond geometry to one V(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one V(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one V(1) atom.