data_CoTc4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc4Au
_chemical_formula_sum   'Co1 Tc4 Au1'
_cell_volume   93.0
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.5  0.5  0.69  1.0
  Tc  Tc3  1  0.5  0.69  0.5  1.0
  Tc  Tc4  1  0.69  0.5  0.5  1.0
  Tc  Tc5  1  0.69  0.69  0.69  1.0
  Au  Au0  1  0.39  0.39  0.39  1.0

data_CoTc4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoTc4Au
_chemical_formula_sum   'Co3 Tc12 Au3'
_cell_volume   279.01
_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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  9  0.07  0.13  0.44  1.0
  Tc  Tc2  3  0.0  0.0  0.31  1.0
  Au  Au3  3  0.0  0.0  0.61  1.0

Co Tc Tc Tc Tc Au
Tc4CoAu 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), and two equivalent Au(1) atoms. The Tc(1)-Tc(2) bond length is 1.74 Å. Both Tc(1)-Tc(1) bond lengths are 1.00 Å. There is one shorter (2.18 Å) and one longer (3.12 Å) Tc(1)-Au(1) bond length. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to three equivalent Tc(1), three equivalent Co(1), and three equivalent Au(1) atoms. All Tc(2)-Co(1) bond lengths are 2.96 Å. All Tc(2)-Au(1) bond lengths are 2.96 Å. Co(1) is bonded in a 3-coordinate geometry to three equivalent Tc(2) and three equivalent Au(1) atoms. All Co(1)-Au(1) bond lengths are 3.03 Å. Au(1) is bonded in a 12-coordinate geometry to three equivalent Tc(2), six equivalent Tc(1), and three equivalent Co(1) atoms.