data_TcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAu2
_chemical_formula_sum   'Tc2 Au4'
_cell_volume   107.28
_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
  Tc  Tc4  1  0.89  0.89  0.89  1.0
  Tc  Tc5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.71  0.83  0.83  1.0
  Au  Au1  1  0.83  0.71  0.83  1.0
  Au  Au2  1  0.83  0.83  0.71  1.0
  Au  Au3  1  0.71  0.71  0.71  1.0

data_TcAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   13.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcAu2
_chemical_formula_sum   'Tc6 Au12'
_cell_volume   321.83
_cell_formula_units_Z   6
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Tc  Tc0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.11  1.0
  Au  Au2  9  0.08  0.04  0.21  1.0
  Au  Au3  3  0.0  0.0  0.29  1.0

Tc Tc Au Au Au Au
TcAu2 crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted rectangular see-saw-like geometry to one Tc(2) and three equivalent Au(1) atoms. The Tc(1)-Tc(2) bond length is 1.49 Å. All Tc(1)-Au(1) bond lengths are 1.29 Å. In the second Tc site, Tc(2) is bonded in a 7-coordinate geometry to one Tc(1), three equivalent Au(1), and three equivalent Au(2) atoms. All Tc(2)-Au(1) bond lengths are 3.17 Å. All Tc(2)-Au(2) bond lengths are 3.14 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(2), one Au(2), and two equivalent Au(1) atoms. The Au(1)-Au(2) bond length is 1.06 Å. Both Au(1)-Au(1) bond lengths are 0.61 Å. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to three equivalent Tc(2) and three equivalent Au(1) atoms.