data_SrTl2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2B
_chemical_formula_sum   'Sr1 Tl2 B1'
_cell_volume   106.07
_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
  Sr  Sr1  1  0.13  0.0  0.49  1.0
  Tl  Tl2  1  0.0  0.0  0.97  1.0
  Tl  Tl3  1  0.13  0.0  0.66  1.0
  B  B0  1  0.0  0.0  0.38  1.0

data_SrTl2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2B
_chemical_formula_sum   'Sr1 Tl2 B1'
_cell_volume   106.07
_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
  Sr  Sr0  1  0.13  0.0  0.49  1.0
  Tl  Tl1  1  0.0  0.0  0.97  1.0
  Tl  Tl2  1  0.13  0.0  0.66  1.0
  B  B3  1  0.0  0.0  0.38  1.0

Sr Tl Tl B
SrTl2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrTl2B cluster. Sr(1) is bonded in a distorted bent 150 degrees geometry to one Tl(2) and one B(1) atom. The Sr(1)-Tl(2) bond length is 1.41 Å. The Sr(1)-B(1) bond length is 1.01 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Tl(2) atom. The Tl(1)-Tl(2) bond length is 2.57 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Sr(1) and one Tl(1) atom. B(1) is bonded in a single-bond geometry to one Sr(1) atom.