data_Sr2LiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   4.1
_cell_angle_alpha   90.73
_cell_angle_beta   90.73
_cell_angle_gamma   90.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiTl
_chemical_formula_sum   'Sr2 Li1 Tl1'
_cell_volume   138.37
_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  0.0  0.93  0.05  1.0
  Sr  Sr2  1  0.0  0.07  0.05  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.08  0.0  0.0  1.0

data_Sr2LiTl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.1
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2LiTl
_chemical_formula_sum   'Sr2 Li1 Tl1'
_cell_volume   138.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.05  0.07  0.0  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.08  1.0

Sr Sr Li Tl
Sr Sr Li Tl 0 2 o + o 1 2 o o o 2 3 o o o 
LiSr2Tl crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one LiSr2Tl cluster. Li(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Tl(1) atom. Both Li(1)-Sr(1) bond lengths are 0.46 Å. The Li(1)-Tl(1) bond length is 0.44 Å. Sr(1) is bonded in a distorted single-bond geometry to one Li(1) and one Tl(1) atom. The Sr(1)-Tl(1) bond length is 0.63 Å. Tl(1) is bonded in a single-bond geometry to one Li(1) and two equivalent Sr(1) atoms.