data_TiTl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Co
_chemical_formula_sum   'Ti1 Tl2 Co1'
_cell_volume   72.99
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.6  0.6  0.94  1.0
  Tl  Tl3  1  0.6  0.6  0.18  1.0
  Co  Co0  1  0.0  0.0  0.56  1.0

data_TiTl2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTl2Co
_chemical_formula_sum   'Ti2 Tl4 Co2'
_cell_volume   145.98
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.1  0.5  0.18  1.0
  Tl  Tl2  2  0.1  0.5  0.94  1.0
  Co  Co3  2  0.0  0.0  0.56  1.0

Ti Tl Tl Co
Ti Tl Tl Co 0 1 - - - 0 1 - o - 0 1 o - - 0 2 - - o 0 3 o o - 1 2 o o + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
TiCoTl2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 1-coordinate geometry to one Co(1) and three equivalent Tl(1) atoms. The Ti(1)-Co(1) bond length is 3.14 Å. There is one shorter (1.86 Å) and two longer (2.35 Å) Ti(1)-Tl(1) bond lengths. Co(1) is bonded in a 11-coordinate geometry to one Ti(1), four equivalent Co(1), three equivalent Tl(1), and three equivalent Tl(2) atoms. All Co(1)-Co(1) bond lengths are 3.20 Å. There is one shorter (3.26 Å) and two longer (3.56 Å) Co(1)-Tl(1) bond lengths. There is one shorter (3.26 Å) and two longer (3.56 Å) Co(1)-Tl(2) bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to three equivalent Ti(1), three equivalent Co(1), and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 1.69 Å. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to three equivalent Co(1) and one Tl(1) atom.