data_ScTlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.2
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlNi2
_chemical_formula_sum   'Sc1 Tl1 Ni2'
_cell_volume   64.93
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.1  0.19  1.0
  Ni  Ni0  1  0.76  0.1  0.0  1.0
  Ni  Ni1  1  0.76  0.0  0.19  1.0

data_ScTlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.2
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlNi2
_chemical_formula_sum   'Sc1 Tl1 Ni2'
_cell_volume   64.93
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.1  0.19  1.0
  Ni  Ni2  1  0.76  0.0  0.19  1.0
  Ni  Ni3  1  0.76  0.1  -0.0  1.0

Sc Tl Ni Ni
ScNi2Tl is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScNi2Tl cluster. Sc(1) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), and one Tl(1) atom. The Sc(1)-Ni(1) bond length is 0.93 Å. The Sc(1)-Ni(2) bond length is 1.19 Å. The Sc(1)-Tl(1) bond length is 0.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 1-coordinate geometry to one Sc(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 0.94 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Sc(1), one Ni(1), and one Tl(1) atom. The Ni(2)-Tl(1) bond length is 0.93 Å. Tl(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Ni(2) atom.