data_TaTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   18.55
_cell_angle_beta   18.55
_cell_angle_gamma   18.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta1 Ti1 Sn2'
_cell_volume   80.8
_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  Ta2  1  0.0  0.0  0.3  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.0  0.0  0.42  1.0
  Sn  Sn1  1  0.0  0.0  0.19  1.0

data_TaTiSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta2 Ti2 Sn4'
_cell_volume   161.61
_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
  Ta  Ta0  2  0.0  0.0  0.7  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.81  1.0
  Sn  Sn3  2  0.0  0.0  0.58  1.0

Ta Ti Sn Sn
TiTaSn2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiTaSn2 clusters. Ti(1) is bonded in a single-bond geometry to one Sn(2) atom. The Ti(1)-Sn(2) bond length is 1.80 Å. Ta(1) is bonded in a linear geometry to one Sn(1) and one Sn(2) atom. The Ta(1)-Sn(1) bond length is 1.14 Å. The Ta(1)-Sn(2) bond length is 1.14 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Sn site, Sn(2) is bonded in a linear geometry to one Ti(1) and one Ta(1) atom.