data_HfTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.01
_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   72.65
_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  0.0  1.0
  Ta  Ta2  1  0.61  0.61  0.08  1.0
  Ta  Ta3  1  0.61  0.61  0.93  1.0
  Re  Re1  1  0.0  0.0  0.51  1.0

data_HfTa2Re
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   HfTa2Re
_chemical_formula_sum   'Hf2 Ta4 Re2'
_cell_volume   145.31
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  1.0
  Ta  Ta1  4  0.08  0.0  0.61  1.0
  Re  Re2  2  0.5  0.0  0.0  1.0

Hf Ta Ta Re
HfTa2Re crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), four equivalent Ta(2), and two equivalent Re(1) atoms. There are a spread of Hf(1)-Ta(1) bond distances ranging from 1.86-2.83 Å. There are a spread of Hf(1)-Ta(2) bond distances ranging from 1.84-2.81 Å. There is one shorter (3.46 Å) and one longer (3.55 Å) Hf(1)-Re(1) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to four equivalent Hf(1), one Ta(2), and three equivalent Re(1) atoms. The Ta(1)-Ta(2) bond length is 1.01 Å. There is one shorter (3.49 Å) and two longer (3.80 Å) Ta(1)-Re(1) bond lengths. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to four equivalent Hf(1), one Ta(1), and three equivalent Re(1) atoms. There is one shorter (3.49 Å) and two longer (3.80 Å) Ta(2)-Re(1) bond lengths. Re(1) is bonded to two equivalent Hf(1), three equivalent Ta(1), three equivalent Ta(2), and four equivalent Re(1) atoms to form a mixture of distorted corner, edge, and face-sharing ReHf2Ta6Re4 cuboctahedra. All Re(1)-Re(1) bond lengths are 3.22 Å.