data_YTiIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiIn2
_chemical_formula_sum   'Y1 Ti1 In2'
_cell_volume   92.42
_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  0.45  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.83  0.83  0.4  1.0
  In  In1  1  0.83  0.83  0.51  1.0

data_YTiIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTiIn2
_chemical_formula_sum   'Y2 Ti2 In4'
_cell_volume   184.84
_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  0.45  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.33  0.5  0.4  1.0
  In  In3  2  0.33  0.5  0.51  1.0

Y Ti In In
Y Ti In In 0 2 - - o 0 3 - - o 0 1 o o + 0 1 o o o 1 3 - - - 1 3 - - o 1 2 - - o 1 1 + o o 1 1 o + o 2 3 o o o 
YTiIn2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 2-coordinate geometry to two equivalent Ti(1), one In(1), and one In(2) atom. There is one shorter (3.12 Å) and one longer (3.78 Å) Y(1)-Ti(1) bond length. The Y(1)-In(1) bond length is 0.96 Å. The Y(1)-In(2) bond length is 0.96 Å. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), four equivalent Ti(1), one In(1), and one In(2) atom. All Ti(1)-Ti(1) bond lengths are 3.66 Å. The Ti(1)-In(1) bond length is 2.89 Å. The Ti(1)-In(2) bond length is 3.52 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Y(1), one Ti(1), and one In(2) atom. The In(1)-In(2) bond length is 0.74 Å. In the second In site, In(2) is bonded in a 2-coordinate geometry to one Y(1), one Ti(1), and one In(1) atom.