data_TiIn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Re
_chemical_formula_sum   'Ti1 In2 Re1'
_cell_volume   79.38
_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  0.0  0.0  0.71  1.0
  In  In0  1  0.63  0.0  0.22  1.0
  In  In1  1  0.0  0.0  0.98  1.0
  Re  Re2  1  0.63  0.0  0.59  1.0

data_TiIn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Re
_chemical_formula_sum   'Ti1 In2 Re1'
_cell_volume   79.38
_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  0.0  0.0  0.71  1.0
  In  In1  1  0.0  0.0  0.98  1.0
  In  In2  1  0.63  0.0  0.22  1.0
  Re  Re3  1  0.63  0.0  0.59  1.0

Ti In In Re
Ti In In Re 0 3 - o o 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o - 1 2 + o - 2 2 + + o 2 2 o + o 2 2 + o o 
TiReIn2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one In(2) atom. There is one shorter (1.67 Å) and one longer (2.26 Å) Ti(1)-Re(1) bond length. The Ti(1)-In(2) bond length is 2.58 Å. Re(1) is bonded in a distorted water-like geometry to two equivalent Ti(1) and one In(1) atom. The Re(1)-In(1) bond length is 3.59 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Re(1), two equivalent In(2), and six equivalent In(1) atoms. There is one shorter (2.52 Å) and one longer (2.95 Å) In(1)-In(2) bond length. There are four shorter (3.00 Å) and two longer (3.26 Å) In(1)-In(1) bond lengths. In the second In site, In(2) is bonded in a 1-coordinate geometry to one Ti(1) and two equivalent In(1) atoms.