data_Ti2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.13
_cell_angle_alpha   90.94
_cell_angle_beta   90.94
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InBr
_chemical_formula_sum   'Ti2 In1 Br1'
_cell_volume   77.27
_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  0.71  0.77  0.56  1.0
  Ti  Ti3  1  0.71  0.23  0.56  1.0
  In  In1  1  0.49  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ti2InBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2InBr
_chemical_formula_sum   'Ti2 In1 Br1'
_cell_volume   77.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.56  0.23  0.71  1.0
  In  In1  1  -0.0  0.0  0.49  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

Ti Ti In Br
Ti2InBr is T-50 Boron-derived structured and crystallizes in the monoclinic Pm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent In(1), and two equivalent Br(1) atoms. There is one shorter (2.29 Å) and one longer (2.68 Å) Ti(1)-Ti(1) bond length. There is one shorter (2.10 Å) and one longer (2.35 Å) Ti(1)-In(1) bond length. There is one shorter (2.28 Å) and one longer (2.57 Å) Ti(1)-Br(1) bond length. In(1) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent Br(1) atoms. There is one shorter (2.44 Å) and one longer (2.53 Å) In(1)-Br(1) bond length. Br(1) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent In(1) atoms.