data_V2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PbSe
_chemical_formula_sum   'V2 Pb1 Se1'
_cell_volume   70.34
_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  0.58  0.58  0.36  1.0
  V  V3  1  0.58  0.58  0.66  1.0
  Pb  Pb0  1  0.0  0.0  0.51  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_V2PbSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2PbSe
_chemical_formula_sum   'V4 Pb2 Se2'
_cell_volume   140.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.08  0.5  0.36  1.0
  V  V1  2  0.08  0.5  0.66  1.0
  Pb  Pb2  2  0.0  0.0  0.51  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

V V Pb Se
V2PbSe crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one V(2), four equivalent Pb(1), and three equivalent Se(1) atoms. The V(1)-V(2) bond length is 2.12 Å. There are a spread of V(1)-Pb(1) bond distances ranging from 2.15-2.82 Å. There is one shorter (3.12 Å) and two longer (3.38 Å) V(1)-Se(1) bond lengths. In the second V site, V(2) is bonded in a 8-coordinate geometry to one V(1), four equivalent Pb(1), and three equivalent Se(1) atoms. There are a spread of V(2)-Pb(1) bond distances ranging from 2.15-2.82 Å. There is one shorter (3.03 Å) and two longer (3.30 Å) V(2)-Se(1) bond lengths. Pb(1) is bonded in a 8-coordinate geometry to four equivalent V(1) and four equivalent V(2) atoms. Se(1) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent V(2) atoms.