data_TaTl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   148.65
_cell_angle_beta   124.96
_cell_angle_gamma   64.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Co
_chemical_formula_sum   'Ta1 Tl2 Co1'
_cell_volume   76.78
_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
  Ta  Ta1  1  0.0  0.0  0.79  1.0
  Tl  Tl2  1  0.53  0.0  0.16  1.0
  Tl  Tl3  1  0.0  0.62  0.63  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_TaTl2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.24
_cell_length_c   5.67
_cell_angle_alpha   117.52
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Co
_chemical_formula_sum   'Ta1 Tl2 Co1'
_cell_volume   76.78
_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
  Ta  Ta0  1  0.0  0.79  0.79  1.0
  Tl  Tl1  1  0.0  0.16  0.62  1.0
  Tl  Tl2  1  0.38  0.01  0.01  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Ta Tl Tl Co
Ta Tl Tl Co 0 3 o o + 0 1 o o + 0 1 - o o 1 2 o - - 1 1 o + + 1 3 o o o 2 3 o + + 
TaCoTl2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted single-bond geometry to one Co(1), one Tl(2), and two equivalent Tl(1) atoms. The Ta(1)-Co(1) bond length is 1.21 Å. The Ta(1)-Tl(2) bond length is 1.48 Å. There is one shorter (2.50 Å) and one longer (2.99 Å) Ta(1)-Tl(1) bond length. Co(1) is bonded in a 3-coordinate geometry to one Ta(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. There is one shorter (2.61 Å) and one longer (3.25 Å) Co(1)-Tl(1) bond length. There is one shorter (1.15 Å) and one longer (1.91 Å) Co(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Co(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(1)-Tl(1) bond lengths are 3.06 Å. There is one shorter (2.63 Å) and one longer (3.20 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Ta(1), two equivalent Co(1), and two equivalent Tl(1) atoms.