data_ZrTlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.81
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlSi2
_chemical_formula_sum   'Zr1 Tl1 Si2'
_cell_volume   82.59
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.77  0.0  0.11  1.0
  Si  Si0  1  0.71  0.9  0.19  1.0
  Si  Si1  1  0.31  0.9  0.03  1.0

data_ZrTlSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.81
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlSi2
_chemical_formula_sum   'Zr1 Tl1 Si2'
_cell_volume   82.59
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.77  0.0  0.11  1.0
  Si  Si2  1  0.31  0.9  0.03  1.0
  Si  Si3  1  0.71  0.9  0.19  1.0

Zr Tl Si Si
ZrTlSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrTlSi2 cluster. Zr(1) is bonded in a bent 120 degrees geometry to one Tl(1) and one Si(2) atom. The Zr(1)-Tl(1) bond length is 1.10 Å. The Zr(1)-Si(2) bond length is 1.16 Å. Tl(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Si(1) atom. The Tl(1)-Si(1) bond length is 0.67 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one Zr(1) atom.