data_TlZn4Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn4Tc
_chemical_formula_sum   'Tl1 Zn4 Tc1'
_cell_volume   95.92
_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
  Tl  Tl1  1  0.82  0.82  0.82  1.0
  Zn  Zn2  1  0.71  0.71  0.55  1.0
  Zn  Zn3  1  0.71  0.55  0.71  1.0
  Zn  Zn4  1  0.55  0.71  0.71  1.0
  Zn  Zn5  1  0.55  0.55  0.55  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0

data_TlZn4Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlZn4Tc
_chemical_formula_sum   'Tl3 Zn12 Tc3'
_cell_volume   287.76
_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
  Tl  Tl0  3  0.0  0.0  0.18  1.0
  Zn  Zn1  9  0.11  0.05  0.34  1.0
  Zn  Zn2  3  0.0  0.0  0.45  1.0
  Tc  Tc3  3  0.0  0.0  0.0  1.0

Tl Zn Zn Zn Zn Tc
TcZn4Tl crystallizes in the trigonal R3m space group. Tc(1) is bonded in a trigonal pyramidal geometry to three equivalent Zn(1) and one Tl(1) atom. All Tc(1)-Zn(1) bond lengths are 2.49 Å. The Tc(1)-Tl(1) bond length is 2.31 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Tc(1), one Zn(2), two equivalent Zn(1), and one Tl(1) atom. The Zn(1)-Zn(2) bond length is 1.43 Å. Both Zn(1)-Zn(1) bond lengths are 0.83 Å. The Zn(1)-Tl(1) bond length is 2.03 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Zn(1) and three equivalent Tl(1) atoms. All Zn(2)-Tl(1) bond lengths are 3.09 Å. Tl(1) is bonded in a distorted single-bond geometry to one Tc(1), three equivalent Zn(1), and three equivalent Zn(2) atoms.