data_YTi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Sn
_chemical_formula_sum   'Y1 Ti2 Sn1'
_cell_volume   89.25
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.84  0.84  0.61  1.0
  Ti  Ti2  1  0.84  0.84  0.01  1.0
  Sn  Sn0  1  0.0  0.0  0.31  1.0

data_YTi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi2Sn
_chemical_formula_sum   'Y2 Ti4 Sn2'
_cell_volume   178.5
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.34  0.5  0.01  1.0
  Ti  Ti2  2  0.34  0.5  0.61  1.0
  Sn  Sn3  2  0.0  0.0  0.31  1.0

Y Ti Ti Sn
YTi2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YTi2Sn clusters. Y(1) is bonded in a distorted single-bond geometry to one Ti(2) and one Sn(1) atom. The Y(1)-Ti(2) bond length is 0.85 Å. The Y(1)-Sn(1) bond length is 2.04 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Ti(1)-Sn(1) bond length is 2.16 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Y(1) and one Sn(1) atom. The Ti(2)-Sn(1) bond length is 2.16 Å. Sn(1) is bonded in a 3-coordinate geometry to one Y(1), one Ti(1), and one Ti(2) atom.