data_Ta2TiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiRe
_chemical_formula_sum   'Ta2 Ti1 Re1'
_cell_volume   67.63
_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  0.99  0.27  0.9  1.0
  Ta  Ta2  1  0.82  0.27  0.33  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.91  0.0  0.61  1.0

data_Ta2TiRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiRe
_chemical_formula_sum   'Ta2 Ti1 Re1'
_cell_volume   67.63
_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  0.82  0.27  0.33  1.0
  Ta  Ta1  1  0.99  0.27  0.9  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.91  0.0  0.61  1.0

Ta Ta Ti Re
TiTa2Re crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiTa2Re cluster. Ti(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Re(1) atom. The Ti(1)-Ta(1) bond length is 1.34 Å. The Ti(1)-Re(1) bond length is 2.04 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Re(1) atom. The Ta(1)-Re(1) bond length is 1.93 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Re(1) atom. The Ta(2)-Re(1) bond length is 1.93 Å. Re(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ta(1), and one Ta(2) atom.