data_ZnCuTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTc4
_chemical_formula_sum   'Zn1 Cu1 Tc4'
_cell_volume   93.72
_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  0.41  0.41  0.41  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.51  0.51  0.7  1.0
  Tc  Tc2  1  0.51  0.7  0.51  1.0
  Tc  Tc3  1  0.7  0.51  0.51  1.0
  Tc  Tc4  1  0.7  0.7  0.7  1.0

data_ZnCuTc4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnCuTc4
_chemical_formula_sum   'Zn3 Cu3 Tc12'
_cell_volume   281.16
_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  0.59  1.0
  Tc  Tc1  9  0.06  0.13  0.43  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.3  1.0

Zn Cu Tc Tc Tc Tc
Tc4CuZn crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(2) is bonded in a 6-coordinate geometry to three equivalent Tc(1), three equivalent Cu(1), and three equivalent Zn(1) atoms. All Tc(2)-Tc(1) bond lengths are 1.71 Å. All Tc(2)-Cu(1) bond lengths are 2.98 Å. All Tc(2)-Zn(1) bond lengths are 2.98 Å. In the second Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2), two equivalent Tc(1), two equivalent Cu(1), and two equivalent Zn(1) atoms. Both Tc(1)-Tc(1) bond lengths are 0.99 Å. Both Tc(1)-Cu(1) bond lengths are 2.95 Å. There is one shorter (2.14 Å) and one longer (3.17 Å) Tc(1)-Zn(1) bond length. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tc(2), six equivalent Tc(1), and three equivalent Zn(1) atoms. All Cu(1)-Zn(1) bond lengths are 3.09 Å. Zn(1) is bonded in a 12-coordinate geometry to three equivalent Tc(2), six equivalent Tc(1), and three equivalent Cu(1) atoms.