data_TiSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.56
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   99.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Sn
_chemical_formula_sum   'Ti1 Si2 Sn1'
_cell_volume   70.73
_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  Ti3  1  0.56  0.0  0.18  1.0
  Si  Si0  1  0.4  0.78  0.08  1.0
  Si  Si1  1  0.38  0.0  0.15  1.0
  Sn  Sn2  1  0.63  0.78  0.78  1.0

data_TiSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.64
_cell_length_c   5.53
_cell_angle_alpha   99.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Sn
_chemical_formula_sum   'Ti1 Si2 Sn1'
_cell_volume   70.73
_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  0.44  0.82  1.0
  Si  Si1  1  0.0  0.62  0.85  1.0
  Si  Si2  1  0.22  0.6  0.92  1.0
  Sn  Sn3  1  0.22  0.37  0.22  1.0

Ti Si Si Sn
TiSnSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiSnSi2 cluster. Ti(1) is bonded in a distorted single-bond geometry to one Si(1) and one Si(2) atom. The Ti(1)-Si(1) bond length is 1.08 Å. The Ti(1)-Si(2) bond length is 0.64 Å. Sn(1) is bonded in a distorted single-bond geometry to one Si(1) atom. The Sn(1)-Si(1) bond length is 1.92 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Ti(1), one Sn(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 0.90 Å. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Ti(1) and one Si(1) atom.