data_HfTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Re
_chemical_formula_sum   'Hf1 Ta2 Re1'
_cell_volume   72.15
_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
  Hf  Hf0  1  0.0  0.0  0.55  1.0
  Ta  Ta2  1  0.0  0.0  0.77  1.0
  Ta  Ta3  1  0.62  0.62  0.66  1.0
  Re  Re1  1  0.62  0.62  0.25  1.0

data_HfTa2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTa2Re
_chemical_formula_sum   'Hf2 Ta4 Re2'
_cell_volume   144.3
_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
  Hf  Hf0  2  0.0  0.0  0.55  1.0
  Ta  Ta1  2  0.0  0.0  0.77  1.0
  Ta  Ta2  2  0.12  0.5  0.66  1.0
  Re  Re3  2  0.12  0.5  0.25  1.0

Hf Ta Ta Re
HfTa2Re crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 1-coordinate geometry to one Ta(1); one Ta(2); and four Re(1,1) atoms. The Hf(1)-Ta(1) bond length is 1.49 Å. The Hf(1)-Ta(2) bond length is 1.89 Å. There are a spread of Hf(1)-Re(1,1) bond distances ranging from 2.71-3.51 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Hf(1) and one Re(1) atom. The Ta(1)-Re(1) bond length is 3.75 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Hf(1) and one Re(1) atom. The Ta(2)-Re(1) bond length is 2.80 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), one Ta(1), one Ta(2), and four equivalent Re(1) atoms. All Re(1)-Re(1) bond lengths are 3.24 Å. In the second Re site, Re(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), one Ta(1), one Ta(2), and four equivalent Re(1) atoms. The Re(1)-Ta(1) bond length is 3.75 Å. The Re(1)-Ta(2) bond length is 2.80 Å.