data_Tl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   8.55
_cell_angle_alpha   97.64
_cell_angle_beta   97.64
_cell_angle_gamma   36.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Co
_chemical_formula_sum   'Tl4 Co2'
_cell_volume   140.0
_cell_formula_units_Z   2
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  0.09  0.0  0.38  1.0
  Tl  Tl3  1  0.08  0.0  0.27  1.0
  Tl  Tl4  1  0.47  0.0  0.45  1.0
  Tl  Tl5  1  0.79  0.0  0.02  1.0
  Co  Co0  1  0.98  0.0  0.75  1.0
  Co  Co1  1  0.76  0.0  0.09  1.0

data_Tl2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.25
_cell_length_c   8.55
_cell_angle_alpha   97.64
_cell_angle_beta   90.0
_cell_angle_gamma   108.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Co
_chemical_formula_sum   'Tl4 Co2'
_cell_volume   140.0
_cell_formula_units_Z   2
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  Tl0  1  0.0  0.21  0.98  1.0
  Tl  Tl1  1  0.0  0.53  0.55  1.0
  Tl  Tl2  1  0.0  0.91  0.62  1.0
  Tl  Tl3  1  0.0  0.92  0.73  1.0
  Co  Co4  1  0.0  0.02  0.25  1.0
  Co  Co5  1  0.0  0.24  0.91  1.0

Tl Tl Tl Tl Co Co
CoTl2 crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to two equivalent Co(1), one Tl(1), one Tl(3), and one Tl(4) atom. Both Co(1)-Co(1) bond lengths are 3.33 Å. The Co(1)-Tl(1) bond length is 3.29 Å. The Co(1)-Tl(3) bond length is 3.45 Å. The Co(1)-Tl(4) bond length is 2.59 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Tl(2) and one Tl(4) atom. The Co(2)-Tl(2) bond length is 2.11 Å. The Co(2)-Tl(4) bond length is 0.67 Å. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Co(1), one Tl(2), and one Tl(3) atom. The Tl(1)-Tl(2) bond length is 0.97 Å. The Tl(1)-Tl(3) bond length is 1.99 Å. In the second Tl site, Tl(2) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one Tl(1) atom. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one Co(1) and one Tl(1) atom. In the fourth Tl site, Tl(4) is bonded in a single-bond geometry to one Co(1) and one Co(2) atom.