data_ZnTc4Au
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc4Au
_chemical_formula_sum   'Zn1 Tc4 Au1'
_cell_volume   96.67
_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
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.73  0.73  0.55  1.0
  Tc  Tc2  1  0.73  0.55  0.73  1.0
  Tc  Tc3  1  0.55  0.73  0.73  1.0
  Tc  Tc4  1  0.55  0.55  0.55  1.0
  Au  Au0  1  0.82  0.82  0.82  1.0

data_ZnTc4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnTc4Au
_chemical_formula_sum   'Zn3 Tc12 Au3'
_cell_volume   290.02
_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
  Zn  Zn0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  9  0.12  0.06  0.33  1.0
  Tc  Tc2  3  0.0  0.0  0.45  1.0
  Au  Au3  3  0.0  0.0  0.18  1.0

Zn Tc Tc Tc Tc Au
Zn Tc Tc Tc Tc Au 0 5 - - - 0 1 - - o 0 2 - o - 0 3 o - - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
Tc4AuZn crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Tc(2), two equivalent Tc(1), one Au(1), and one Zn(1) atom. The Tc(1)-Tc(2) bond length is 1.62 Å. Both Tc(1)-Tc(1) bond lengths are 0.94 Å. The Tc(1)-Au(1) bond length is 1.95 Å. The Tc(1)-Zn(1) bond length is 2.44 Å. In the second Tc site, Tc(2) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Au(1) atoms. All Tc(2)-Au(1) bond lengths are 3.08 Å. Au(1) is bonded in a 7-coordinate geometry to three equivalent Tc(1), three equivalent Tc(2), and one Zn(1) atom. The Au(1)-Zn(1) bond length is 2.25 Å. Zn(1) is bonded in a trigonal pyramidal geometry to three equivalent Tc(1) and one Au(1) atom.