data_TlCoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.26
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoAu2
_chemical_formula_sum   'Tl1 Co1 Au2'
_cell_volume   76.03
_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  Tl3  1  0.0  0.0  0.77  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.55  0.63  0.05  1.0
  Au  Au1  1  0.55  0.63  0.48  1.0

data_TlCoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.26
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoAu2
_chemical_formula_sum   'Tl1 Co1 Au2'
_cell_volume   76.03
_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  0.0  0.77  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.55  0.63  0.05  1.0
  Au  Au3  1  0.55  0.63  0.48  1.0

Tl Co Au Au
CoAu2Tl crystallizes in the triclinic P1 space group. Co(1) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one Tl(1) atom. There are a spread of Co(1)-Au(1) bond distances ranging from 1.88-2.69 Å. The Co(1)-Tl(1) bond length is 1.76 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Co(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 3.29 Å. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to one Au(1), four equivalent Au(2), and four equivalent Tl(1) atoms. There are two shorter (3.10 Å) and two longer (3.26 Å) Au(2)-Au(2) bond lengths. There are a spread of Au(2)-Tl(1) bond distances ranging from 2.81-3.41 Å. Tl(1) is bonded in a 1-coordinate geometry to one Co(1) and four equivalent Au(2) atoms.