data_TaTiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta1 Ti1 In1'
_cell_volume   58.51
_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
  Ta  Ta1  1  0.53  0.89  0.49  1.0
  Ti  Ti2  1  0.0  0.0  0.71  1.0
  In  In0  1  1.0  0.77  0.15  1.0

data_TaTiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta1 Ti1 In1'
_cell_volume   58.51
_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
  Ta  Ta0  1  0.53  0.89  0.49  1.0
  Ti  Ti1  1  0.0  0.0  0.71  1.0
  In  In2  1  1.0  0.77  0.15  1.0

Ta Ti In
Ta Ti In 0 1 o + o 0 1 + + o 0 2 o + o 0 2 o o o 0 2 - o o 1 2 - - + 2 2 + + o 2 2 o + o 2 2 + o o 
TiTaIn crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 1-coordinate geometry to two equivalent Ta(1) and one In(1) atom. There is one shorter (2.07 Å) and one longer (2.45 Å) Ti(1)-Ta(1) bond length. The Ti(1)-In(1) bond length is 3.23 Å. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and three equivalent In(1) atoms. There are a spread of Ta(1)-In(1) bond distances ranging from 2.82-3.36 Å. In(1) is bonded in a 10-coordinate geometry to one Ti(1), three equivalent Ta(1), and six equivalent In(1) atoms. All In(1)-In(1) bond lengths are 3.07 Å.