data_TiNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiSn2
_chemical_formula_sum   'Ti1 Ni1 Sn2'
_cell_volume   78.91
_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  0.0  0.0  0.57  1.0
  Ni  Ni0  1  0.2  0.0  0.3  1.0
  Sn  Sn1  1  0.0  0.0  0.49  1.0
  Sn  Sn2  1  0.2  0.0  0.57  1.0

data_TiNiSn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiNiSn2
_chemical_formula_sum   'Ti1 Ni1 Sn2'
_cell_volume   78.93
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.57  1.0
  Ni  Ni1  1  0.2  0.0  0.3  1.0
  Sn  Sn2  1  0.0  0.0  0.49  1.0
  Sn  Sn3  1  0.2  0.0  0.57  1.0

Ti Ni Sn Sn
TiNiSn2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one TiNiSn2 cluster. Ti(1) is bonded in a distorted L-shaped geometry to one Sn(1) and one Sn(2) atom. The Ti(1)-Sn(1) bond length is 0.68 Å. The Ti(1)-Sn(2) bond length is 0.63 Å. Ni(1) is bonded in a single-bond geometry to one Sn(1) atom. The Ni(1)-Sn(1) bond length is 1.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Ti(1) and one Ni(1) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Ti(1) atom.