data_TiInAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   144.72
_cell_angle_beta   144.72
_cell_angle_gamma   50.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInAs
_chemical_formula_sum   'Ti1 In1 As1'
_cell_volume   60.71
_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  0.0  0.0  0.41  1.0
  In  In1  1  0.0  0.0  0.37  1.0
  As  As0  1  0.0  0.0  0.48  1.0

data_TiInAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   115.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiInAs
_chemical_formula_sum   'Ti2 In2 As2'
_cell_volume   121.41
_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
  Ti  Ti0  2  0.41  0.0  0.41  1.0
  In  In1  2  0.37  0.0  0.37  1.0
  As  As2  2  0.48  0.0  0.48  1.0

Ti In As
TiInAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiInAs clusters. Ti(1) is bonded in a linear geometry to one In(1) and one As(1) atom. The Ti(1)-In(1) bond length is 0.22 Å. The Ti(1)-As(1) bond length is 0.40 Å. In(1) is bonded in a single-bond geometry to one Ti(1) atom. As(1) is bonded in a single-bond geometry to one Ti(1) atom.