data_VSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSnSe2
_chemical_formula_sum   'V1 Sn1 Se2'
_cell_volume   80.98
_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
  Sn  Sn2  1  0.46  0.46  0.0  1.0
  Se  Se0  1  0.0  0.46  0.67  1.0
  Se  Se1  1  0.46  0.0  0.67  1.0

data_VSnSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VSnSe2
_chemical_formula_sum   'V2 Sn2 Se4'
_cell_volume   161.96
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.46  0.0  0.0  1.0
  Se  Se2  4  0.23  0.23  0.67  1.0

V Sn Se Se
V Sn Se Se 0 3 - o - 0 3 o o - 0 3 o o o 0 2 o - - 0 2 o o - 0 2 o o o 0 1 o o o 1 2 o o - 1 2 o o o 1 2 + o - 1 3 o o - 1 3 o o o 1 3 o + - 2 3 o o o 
VSnSe2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are a spread of V(1)-Se(1) bond distances ranging from 2.52-3.19 Å. Sn(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. There are two shorter (2.52 Å) and two longer (2.87 Å) Sn(1)-Se(1) bond lengths. Se(1) is bonded in a 4-coordinate geometry to three equivalent V(1) and two equivalent Sn(1) atoms.