data_Ti2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VSn
_chemical_formula_sum   'Ti2 V1 Sn1'
_cell_volume   69.58
_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
  Ti  Ti1  1  0.0  0.0  0.16  1.0
  Ti  Ti2  1  0.87  0.27  0.35  1.0
  V  V3  1  0.05  0.0  0.46  1.0
  Sn  Sn0  1  0.15  0.27  0.91  1.0

data_Ti2VSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VSn
_chemical_formula_sum   'Ti2 V1 Sn1'
_cell_volume   69.58
_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
  Ti  Ti0  1  0.0  0.0  0.16  1.0
  Ti  Ti1  1  0.87  0.27  0.35  1.0
  V  V2  1  0.05  0.0  0.46  1.0
  Sn  Sn3  1  0.15  0.27  0.91  1.0

Ti Ti V Sn
Ti Ti V Sn 0 1 - o o 0 2 o o o 0 3 o o - 1 2 + o o 
Ti2VSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2VSn cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one Ti(2), one V(1), and one Sn(1) atom. The Ti(1)-Ti(2) bond length is 1.67 Å. The Ti(1)-V(1) bond length is 1.54 Å. The Ti(1)-Sn(1) bond length is 1.93 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Ti(1) and one V(1) atom. The Ti(2)-V(1) bond length is 1.42 Å. V(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Ti(2) atom. Sn(1) is bonded in a distorted single-bond geometry to one Ti(1) atom.