data_SrTlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlB2
_chemical_formula_sum   'Sr1 Tl1 B2'
_cell_volume   80.35
_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  Sr2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.11  1.0
  B  B0  1  0.8  0.8  0.94  1.0
  B  B1  1  0.8  0.8  0.28  1.0

data_SrTlB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTlB2
_chemical_formula_sum   'Sr2 Tl2 B4'
_cell_volume   160.7
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.11  1.0
  B  B2  2  0.3  0.5  0.28  1.0
  B  B3  2  0.3  0.5  0.94  1.0

Sr Tl B B
Sr Tl B B 0 1 o o o 0 2 - - - 1 3 - - o 
SrTlB2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrTlB2 clusters. Sr(1) is bonded in a distorted water-like geometry to one Tl(1) and one B(1) atom. The Sr(1)-Tl(1) bond length is 0.67 Å. The Sr(1)-B(1) bond length is 1.10 Å. Tl(1) is bonded in a distorted single-bond geometry to one Sr(1) and one B(2) atom. The Tl(1)-B(2) bond length is 1.47 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Tl(1) atom.