data_TaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta2 Re4'
_cell_volume   97.65
_cell_formula_units_Z   2
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  Ta4  1  0.0  0.67  0.31  1.0
  Ta  Ta5  1  0.32  0.34  0.94  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.63  1.0
  Re  Re2  1  0.0  0.67  0.94  1.0
  Re  Re3  1  0.32  0.34  0.31  1.0

data_TaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta2 Re4'
_cell_volume   97.65
_cell_formula_units_Z   2
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  0.0  0.67  0.31  1.0
  Ta  Ta1  1  0.32  0.34  0.94  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.63  1.0
  Re  Re4  1  0.0  0.67  0.94  1.0
  Re  Re5  1  0.32  0.34  0.31  1.0

Ta Ta Re Re Re Re
TaRe2 crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one Re(1), one Re(2), one Re(3), and two equivalent Re(4) atoms. The Ta(1)-Re(1) bond length is 2.24 Å. The Ta(1)-Re(2) bond length is 2.24 Å. The Ta(1)-Re(3) bond length is 1.96 Å. There is one shorter (2.62 Å) and one longer (2.74 Å) Ta(1)-Re(4) bond length. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Re(1), one Re(2), one Re(4), and two equivalent Re(3) atoms. The Ta(2)-Re(1) bond length is 1.55 Å. The Ta(2)-Re(2) bond length is 2.24 Å. The Ta(2)-Re(4) bond length is 1.96 Å. There is one shorter (2.62 Å) and one longer (2.74 Å) Ta(2)-Re(3) bond length. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(2), one Re(2), and one Re(3) atom. The Re(1)-Re(2) bond length is 1.96 Å. The Re(1)-Re(3) bond length is 1.54 Å. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Re(1), one Re(3), and one Re(4) atom. The Re(2)-Re(3) bond length is 2.24 Å. The Re(2)-Re(4) bond length is 2.24 Å. In the third Re site, Re(3) is bonded in a 4-coordinate geometry to one Ta(1), two equivalent Ta(2), one Re(1), and one Re(2) atom. In the fourth Re site, Re(4) is bonded in a 1-coordinate geometry to one Ta(2), two equivalent Ta(1), and one Re(2) atom.