data_Tl3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Co
_chemical_formula_sum   'Tl3 Co1'
_cell_volume   95.54
_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  0.59  0.21  0.7  1.0
  Tl  Tl2  1  0.59  0.79  0.7  1.0
  Tl  Tl3  1  0.18  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Tl3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   108.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Co
_chemical_formula_sum   'Tl3 Co1'
_cell_volume   95.54
_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  Tl0  1  -0.0  0.18  0.0  1.0
  Tl  Tl1  1  0.7  0.59  0.21  1.0
  Tl  Tl2  1  0.7  0.59  0.79  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Tl Tl Tl Co
Tl Tl Tl Co 0 2 o o + 0 1 o - o 1 3 + + + 2 3 o o o 
CoTl3 crystallizes in the triclinic P1 space group. Co(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Tl(3) atom. The Co(1)-Tl(1) bond length is 3.00 Å. The Co(1)-Tl(2) bond length is 2.39 Å. The Co(1)-Tl(3) bond length is 1.00 Å. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Co(1), two equivalent Tl(1), two equivalent Tl(2), and two equivalent Tl(3) atoms. Both Tl(1)-Tl(1) bond lengths are 3.39 Å. There is one shorter (2.31 Å) and one longer (3.14 Å) Tl(1)-Tl(2) bond length. There is one shorter (2.39 Å) and one longer (3.20 Å) Tl(1)-Tl(3) bond length. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one Co(1) and two equivalent Tl(1) atoms. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one Co(1) and two equivalent Tl(1) atoms.