data_Ba2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VSn
_chemical_formula_sum   'Ba2 V1 Sn1'
_cell_volume   127.1
_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
  Ba  Ba0  1  0.75  0.56  0.77  1.0
  Ba  Ba1  1  0.75  0.44  0.77  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.49  0.0  0.0  1.0

data_Ba2VSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   111.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VSn
_chemical_formula_sum   'Ba2 V1 Sn1'
_cell_volume   127.1
_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
  Ba  Ba0  1  0.77  0.75  0.44  1.0
  Ba  Ba1  1  0.77  0.75  0.56  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  -0.0  0.49  0.0  1.0

Ba Ba V Sn
Ba Ba V Sn 0 1 o o o 0 2 + + + 0 3 o o + 1 2 + + + 1 3 o o + 2 3 - o o 2 3 o o o 2 2 o o + 3 3 o o + 
Ba2VSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2VSn cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one V(1) atom. The Ba(1)-Ba(2) bond length is 0.79 Å. The Ba(1)-V(1) bond length is 2.71 Å. In the second Ba site, Ba(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Sn(1) atom. The Ba(2)-Sn(1) bond length is 2.71 Å. V(1) is bonded in a 1-coordinate geometry to one Ba(1) atom. Sn(1) is bonded in a 1-coordinate geometry to one Ba(2) atom.