data_TlSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.55
_cell_angle_alpha   105.39
_cell_angle_beta   105.39
_cell_angle_gamma   60.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Ni
_chemical_formula_sum   'Tl1 Si2 Ni1'
_cell_volume   80.33
_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
  Tl  Tl3  1  0.42  0.0  0.16  1.0
  Si  Si1  1  0.63  0.0  0.59  1.0
  Si  Si2  1  0.43  0.0  0.66  1.0
  Ni  Ni0  1  0.18  0.0  0.17  1.0

data_TlSi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.55
_cell_angle_alpha   74.61
_cell_angle_beta   74.61
_cell_angle_gamma   60.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Ni
_chemical_formula_sum   'Tl1 Si2 Ni1'
_cell_volume   80.33
_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
  Tl  Tl0  1  0.58  0.0  0.16  1.0
  Si  Si1  1  0.37  0.0  0.59  1.0
  Si  Si2  1  0.57  0.0  0.66  1.0
  Ni  Ni3  1  0.82  0.0  0.17  1.0

Tl Si Si Ni
NiTl(Si)2 is alpha carbon monoxide-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one disilane molecule and one NiTl cluster. In the NiTl cluster, Ni(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ni(1)-Tl(1) bond length is 0.92 Å. Tl(1) is bonded in a single-bond geometry to one Ni(1) atom.