data_SrZrTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   5.42
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrTl2
_chemical_formula_sum   'Sr1 Zr1 Tl2'
_cell_volume   108.46
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.71  0.79  1.0
  Tl  Tl1  1  0.79  0.0  0.79  1.0
  Tl  Tl2  1  0.79  0.71  0.0  1.0

data_SrZrTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.42
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrTl2
_chemical_formula_sum   'Sr1 Zr1 Tl2'
_cell_volume   108.46
_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  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.71  0.79  1.0
  Tl  Tl2  1  0.79  0.0  0.79  1.0
  Tl  Tl3  1  0.79  0.71  -0.0  1.0

Sr Zr Tl Tl
SrZrTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrZrTl2 cluster. Sr(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Tl(2) atom. The Sr(1)-Tl(1) bond length is 1.40 Å. The Sr(1)-Tl(2) bond length is 1.73 Å. Zr(1) is bonded in a 1-coordinate geometry to one Tl(2) atom. The Zr(1)-Tl(2) bond length is 1.40 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Zr(1) atom.