data_Tl2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcNi
_chemical_formula_sum   'Tl2 Tc1 Ni1'
_cell_volume   70.82
_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  0.65  0.65  0.9  1.0
  Tl  Tl3  1  0.65  0.65  0.57  1.0
  Tc  Tc1  1  0.0  0.0  0.23  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Tl2TcNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2TcNi
_chemical_formula_sum   'Tl4 Tc2 Ni2'
_cell_volume   141.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tl0  2  0.15  0.5  0.57  1.0
  Tl  Tl1  2  0.15  0.5  0.9  1.0
  Tc  Tc2  2  0.0  0.0  0.23  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Tl Tl Tc Ni
TcNiTl2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Tl(2) atom. The Tc(1)-Ni(1) bond length is 1.51 Å. The Tc(1)-Tl(2) bond length is 2.70 Å. Ni(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Tl(1) atoms. There is one shorter (1.75 Å) and two longer (2.54 Å) Ni(1)-Tl(1) bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to three equivalent Ni(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 2.13 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Tc(1) and one Tl(1) atom.