data_TaTlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlB
_chemical_formula_sum   'Ta1 Tl1 B1'
_cell_volume   52.71
_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  0.02  0.12  1.0
  Tl  Tl2  1  0.75  0.01  0.56  1.0
  B  B0  1  0.0  0.0  0.29  1.0

data_TaTlB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlB
_chemical_formula_sum   'Ta1 Tl1 B1'
_cell_volume   52.71
_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  0.02  0.12  1.0
  Tl  Tl1  1  0.75  0.01  0.56  1.0
  B  B2  1  0.0  0.0  0.29  1.0

Ta Tl B
Ta Tl B 0 2 o o o 1 2 + o o 
TaTlB crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaTlB cluster. Ta(1) is bonded in a single-bond geometry to one B(1) atom. The Ta(1)-B(1) bond length is 0.80 Å. Tl(1) is bonded in a single-bond geometry to one B(1) atom. The Tl(1)-B(1) bond length is 1.61 Å. B(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Tl(1) atom.