data_ZrTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.35
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   92.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Tc
_chemical_formula_sum   'Zr1 Tl2 Tc1'
_cell_volume   91.6
_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
  Zr  Zr3  1  0.87  0.0  0.61  1.0
  Tl  Tl1  1  0.26  0.0  0.4  1.0
  Tl  Tl2  1  0.5  0.68  0.89  1.0
  Tc  Tc0  1  0.53  0.68  0.25  1.0

data_ZrTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.37
_cell_length_c   8.11
_cell_angle_alpha   92.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Tc
_chemical_formula_sum   'Zr1 Tl2 Tc1'
_cell_volume   91.6
_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
  Zr  Zr0  1  0.0  0.13  0.39  1.0
  Tl  Tl1  1  0.0  0.74  0.6  1.0
  Tl  Tl2  1  0.32  0.5  0.11  1.0
  Tc  Tc3  1  0.32  0.47  0.75  1.0

Zr Tl Tl Tc
ZrTcTl2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 3-coordinate geometry to two equivalent Tl(1) and four equivalent Tl(2) atoms. There is one shorter (2.22 Å) and one longer (2.60 Å) Zr(1)-Tl(1) bond length. There are a spread of Zr(1)-Tl(2) bond distances ranging from 2.82-3.77 Å. Tc(1) is bonded in a distorted single-bond geometry to one Tl(2) and three equivalent Tl(1) atoms. The Tc(1)-Tl(2) bond length is 2.95 Å. There are a spread of Tc(1)-Tl(1) bond distances ranging from 1.89-2.90 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to two equivalent Zr(1) and three equivalent Tc(1) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Tc(1), and four equivalent Tl(2) atoms. There are two shorter (3.35 Å) and two longer (3.37 Å) Tl(2)-Tl(2) bond lengths.