data_V2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.18
_cell_angle_alpha   99.75
_cell_angle_beta   99.75
_cell_angle_gamma   41.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PbSe
_chemical_formula_sum   'V2 Pb1 Se1'
_cell_volume   82.82
_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  V2  1  0.32  0.0  0.04  1.0
  V  V3  1  0.43  0.0  1.0  1.0
  Pb  Pb0  1  0.73  0.0  0.46  1.0
  Se  Se1  1  0.07  0.0  0.69  1.0

data_V2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.56
_cell_length_c   6.18
_cell_angle_alpha   99.75
_cell_angle_beta   90.0
_cell_angle_gamma   110.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PbSe
_chemical_formula_sum   'V2 Pb1 Se1'
_cell_volume   82.82
_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  0.57  0.0  1.0
  V  V1  1  0.0  0.68  0.96  1.0
  Pb  Pb2  1  0.0  0.27  0.54  1.0
  Se  Se3  1  0.0  0.93  0.31  1.0

V V Pb Se
V V Pb Se 0 1 o o - 0 3 o o - 1 3 o o o 2 3 + o o 
V2PbSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one V2PbSe cluster. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one V(2) and one Se(1) atom. The V(1)-V(2) bond length is 0.63 Å. The V(1)-Se(1) bond length is 2.24 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one V(1) and one Se(1) atom. The V(2)-Se(1) bond length is 2.26 Å. Pb(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Pb(1)-Se(1) bond length is 1.96 Å. Se(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Pb(1) atom.