data_TaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe
_chemical_formula_sum   'Ta4 Re4'
_cell_volume   136.26
_cell_formula_units_Z   4
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  0.49  0.49  0.49  1.0
  Ta  Ta5  1  0.09  0.66  0.06  1.0
  Ta  Ta6  1  0.66  0.06  0.09  1.0
  Ta  Ta7  1  0.06  0.09  0.66  1.0
  Re  Re0  1  0.09  0.09  0.09  1.0
  Re  Re1  1  0.48  0.05  0.67  1.0
  Re  Re2  1  0.05  0.67  0.48  1.0
  Re  Re3  1  0.67  0.48  0.05  1.0

data_TaRe
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   TaRe
_chemical_formula_sum   'Ta12 Re12'
_cell_volume   408.77
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.06  0.51  0.6  1.0
  Ta  Ta1  3  0.0  0.0  0.49  1.0
  Re  Re2  9  0.08  0.73  0.4  1.0
  Re  Re3  3  0.0  0.0  0.09  1.0

Ta Ta Ta Ta Re Re Re Re
Ta Ta Ta Ta Re Re Re Re 0 5 o o o 0 6 o o o 0 7 o o o 1 7 - o o 1 6 o o o 1 4 o + o 2 5 o o - 2 7 o o o 2 4 + o o 3 6 o - o 3 5 o o o 3 4 o o + 
ReTa is alpha As-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to three equivalent Re(2) atoms. All Ta(1)-Re(2) bond lengths are 2.42 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Re(2) atoms. The Ta(2)-Re(1) bond length is 2.24 Å. There is one shorter (2.17 Å) and one longer (2.35 Å) Ta(2)-Re(2) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to three equivalent Ta(2) atoms. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms.