data_Ti2CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.46
_cell_angle_alpha   114.33
_cell_angle_beta   114.33
_cell_angle_gamma   37.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrSn
_chemical_formula_sum   'Ti2 Cr1 Sn1'
_cell_volume   66.12
_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  Ti2  1  0.04  0.0  0.03  1.0
  Ti  Ti3  1  0.09  0.0  0.07  1.0
  Cr  Cr0  1  0.84  0.0  0.98  1.0
  Sn  Sn1  1  0.91  0.0  0.93  1.0

data_Ti2CrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   114.33
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrSn
_chemical_formula_sum   'Ti2 Cr1 Sn1'
_cell_volume   66.12
_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  0.03  0.04  1.0
  Ti  Ti1  1  0.0  0.07  0.09  1.0
  Cr  Cr2  1  0.0  0.98  0.84  1.0
  Sn  Sn3  1  0.0  0.93  0.91  1.0

Ti Ti Cr Sn
Ti2CrSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2CrSn cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted linear geometry to one Ti(2) and one Sn(1) atom. The Ti(1)-Ti(2) bond length is 0.22 Å. The Ti(1)-Sn(1) bond length is 0.65 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom. Cr(1) is bonded in a single-bond geometry to one Sn(1) atom. The Cr(1)-Sn(1) bond length is 0.53 Å. Sn(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Cr(1) atom.