data_Tl2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.8
_cell_length_c   9.8
_cell_angle_alpha   20.24
_cell_angle_beta   20.24
_cell_angle_gamma   20.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoBi
_chemical_formula_sum   'Tl2 Co1 Bi1'
_cell_volume   98.4
_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  0.0  0.0  0.03  1.0
  Tl  Tl3  1  0.0  0.0  0.74  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.39  1.0

data_Tl2CoBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CoBi
_chemical_formula_sum   'Tl4 Co2 Bi2'
_cell_volume   196.8
_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  0.0  0.0  0.26  1.0
  Tl  Tl1  2  0.0  0.0  0.97  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.61  1.0

Tl Tl Co Bi
CoTl2Bi crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to one Tl(1) and one Tl(2) atom. The Co(1)-Tl(1) bond length is 0.33 Å. The Co(1)-Tl(2) bond length is 2.51 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Co(1) and one Bi(1) atom. The Tl(1)-Bi(1) bond length is 3.48 Å. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one Co(1) and one Bi(1) atom. The Tl(2)-Bi(1) bond length is 3.48 Å. Bi(1) is bonded to one Tl(1), one Tl(2), and six equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing BiTl2Bi6 hexagonal bipyramids. All Bi(1)-Bi(1) bond lengths are 3.44 Å.