data_TlCuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuTc
_chemical_formula_sum   'Tl1 Cu1 Tc1'
_cell_volume   61.03
_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  Tl2  1  0.56  0.56  0.56  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.12  0.12  0.12  1.0

data_TlCuTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCuTc
_chemical_formula_sum   'Tl3 Cu3 Tc3'
_cell_volume   183.09
_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  0.44  1.0
  Cu  Cu1  3  0.0  0.0  -0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.88  1.0

Tl Cu Tc
TcCuTl crystallizes in the trigonal R3m space group. Tc(1) is bonded to one Cu(1) and three equivalent Tl(1) atoms to form distorted TcTl3Cu tetrahedra that share corners with three equivalent Cu(1)Tl3Tc tetrahedra, corners with six equivalent Tc(1)Tl3Cu tetrahedra, and edges with three equivalent Cu(1)Tl3Tc tetrahedra. The Tc(1)-Cu(1) bond length is 1.35 Å. All Tc(1)-Tl(1) bond lengths are 2.79 Å. Cu(1) is bonded to one Tc(1) and three equivalent Tl(1) atoms to form distorted CuTl3Tc tetrahedra that share corners with three equivalent Tc(1)Tl3Cu tetrahedra, corners with six equivalent Cu(1)Tl3Tc tetrahedra, and edges with three equivalent Tc(1)Tl3Cu tetrahedra. All Cu(1)-Tl(1) bond lengths are 2.79 Å. Tl(1) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Cu(1) atoms.