data_Ta2TiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiSn
_chemical_formula_sum   'Ta2 Ti1 Sn1'
_cell_volume   76.04
_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
  Ta  Ta1  1  0.74  0.0  0.87  1.0
  Ta  Ta2  1  0.74  0.0  0.19  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.0  0.0  0.53  1.0

data_Ta2TiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiSn
_chemical_formula_sum   'Ta2 Ti1 Sn1'
_cell_volume   76.04
_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
  Ta  Ta0  1  0.74  0.0  0.19  1.0
  Ta  Ta1  1  0.74  0.0  0.87  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.53  1.0

Ta Ta Ti Sn
TiTa2Sn crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. The Ti(1)-Ta(1) bond length is 1.43 Å. The Ti(1)-Ta(2) bond length is 1.89 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Sn(1) atom. The Ta(1)-Sn(1) bond length is 3.16 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Ti(1) and one Sn(1) atom. The Ta(2)-Sn(1) bond length is 3.16 Å. Sn(1) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(2), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 2.97 Å.