data_LaZrTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.0
_cell_length_b   11.0
_cell_length_c   11.0
_cell_angle_alpha   17.83
_cell_angle_beta   17.83
_cell_angle_gamma   17.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTl2
_chemical_formula_sum   'La1 Zr1 Tl2'
_cell_volume   108.98
_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  0.24  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.3  1.0
  Tl  Tl2  1  0.0  0.0  0.18  1.0

data_LaZrTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   3.41
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZrTl2
_chemical_formula_sum   'La2 Zr2 Tl4'
_cell_volume   217.96
_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
  La  La0  2  0.0  0.0  0.76  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Tl  Tl2  2  0.0  0.0  0.7  1.0
  Tl  Tl3  2  0.0  0.0  0.82  1.0

La Zr Tl Tl
LaZrTl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaZrTl2 clusters. La(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom. The La(1)-Tl(1) bond length is 0.69 Å. The La(1)-Tl(2) bond length is 0.69 Å. Zr(1) is bonded in a single-bond geometry to one Tl(2) atom. The Zr(1)-Tl(2) bond length is 1.93 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one La(1) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one La(1) and one Zr(1) atom.