data_TiAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.92
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlIn2
_chemical_formula_sum   'Ti1 Al1 In2'
_cell_volume   81.61
_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  0.46  0.0  0.81  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.71  0.46  0.44  1.0
  In  In2  1  0.22  0.46  0.18  1.0

data_TiAlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.92
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlIn2
_chemical_formula_sum   'Ti1 Al1 In2'
_cell_volume   81.61
_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  0.46  0.0  0.81  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.22  0.46  0.18  1.0
  In  In3  1  0.71  0.46  0.44  1.0

Ti Al In In
TiIn2Al crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted water-like geometry to two equivalent In(1) and two equivalent Al(1) atoms. There is one shorter (3.16 Å) and one longer (3.44 Å) Ti(1)-In(1) bond length. There is one shorter (1.75 Å) and one longer (1.92 Å) Ti(1)-Al(1) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent In(2) atoms. There is one shorter (2.07 Å) and one longer (2.11 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form distorted corner-sharing InAl2In2 trigonal pyramids. There is one shorter (2.56 Å) and one longer (2.90 Å) In(2)-Al(1) bond length. Al(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent In(2) atoms.