data_LaZrTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTl2
_chemical_formula_sum   'La1 Zr1 Tl2'
_cell_volume   107.09
_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
  La  La0  1  0.0  0.0  0.62  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.69  0.19  0.64  1.0
  Tl  Tl2  1  0.69  0.19  0.59  1.0

data_LaZrTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTl2
_chemical_formula_sum   'La1 Zr1 Tl2'
_cell_volume   107.09
_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
  La  La0  1  0.0  0.0  0.62  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.69  0.19  0.59  1.0
  Tl  Tl3  1  0.69  0.19  0.64  1.0

La Zr Tl Tl
LaZrTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaZrTl2 cluster. La(1) is bonded in a 2-coordinate geometry to one Zr(1), one Tl(1), and one Tl(2) atom. The La(1)-Zr(1) bond length is 2.77 Å. The La(1)-Tl(1) bond length is 1.35 Å. The La(1)-Tl(2) bond length is 1.35 Å. Zr(1) is bonded in a 2-coordinate geometry to one La(1) and one Tl(1) atom. The Zr(1)-Tl(1) bond length is 2.92 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one La(1), one Zr(1), and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 0.34 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one La(1) and one Tl(1) atom.