data_Tc4SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4SbAu
_chemical_formula_sum   'Tc4 Sb1 Au1'
_cell_volume   101.62
_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
  Tc  Tc2  1  0.62  0.62  0.78  1.0
  Tc  Tc3  1  0.62  0.78  0.62  1.0
  Tc  Tc4  1  0.78  0.62  0.62  1.0
  Tc  Tc5  1  0.78  0.78  0.78  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.56  0.56  0.56  1.0

data_Tc4SbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   12.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc4SbAu
_chemical_formula_sum   'Tc12 Sb3 Au3'
_cell_volume   304.85
_cell_formula_units_Z   3
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  9  0.05  0.11  0.32  1.0
  Tc  Tc1  3  0.0  0.0  0.22  1.0
  Sb  Sb2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.44  1.0

Tc Tc Tc Tc Sb Au
Tc4AuSb crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2), two equivalent Tc(1), one Au(1), and two equivalent Sb(1) atoms. The Tc(1)-Tc(2) bond length is 1.46 Å. Both Tc(1)-Tc(1) bond lengths are 0.84 Å. The Tc(1)-Au(1) bond length is 1.63 Å. Both Tc(1)-Sb(1) bond lengths are 2.82 Å. In the second Tc site, Tc(2) is bonded in a 7-coordinate geometry to three equivalent Tc(1), three equivalent Au(1), and one Sb(1) atom. All Tc(2)-Au(1) bond lengths are 3.31 Å. The Tc(2)-Sb(1) bond length is 2.77 Å. Au(1) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Tc(2) atoms. Sb(1) is bonded in a 7-coordinate geometry to one Tc(2) and six equivalent Tc(1) atoms.