data_ScTlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.43
_cell_angle_alpha   109.13
_cell_angle_beta   109.13
_cell_angle_gamma   43.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlGa2
_chemical_formula_sum   'Sc1 Tl1 Ga2'
_cell_volume   86.11
_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  0.34  0.0  0.07  1.0
  Ga  Ga0  1  0.43  0.0  0.23  1.0
  Ga  Ga1  1  0.24  0.0  0.92  1.0

data_ScTlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.43
_cell_length_c   5.51
_cell_angle_alpha   109.13
_cell_angle_beta   111.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlGa2
_chemical_formula_sum   'Sc1 Tl1 Ga2'
_cell_volume   86.11
_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  0.07  0.34  1.0
  Ga  Ga2  1  0.0  0.23  0.43  1.0
  Ga  Ga3  1  0.0  0.92  0.24  1.0

Sc Tl Ga Ga
Sc Tl Ga Ga 0 1 o o o 0 3 o o - 1 3 o o - 1 2 o o o 
ScTlGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScTlGa2 cluster. Sc(1) is bonded in a distorted single-bond geometry to one Ga(2) atom. The Sc(1)-Ga(2) bond length is 1.51 Å. Tl(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom. The Tl(1)-Ga(1) bond length is 0.71 Å. The Tl(1)-Ga(2) bond length is 0.71 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Ga site, Ga(2) is bonded in a water-like geometry to one Sc(1) and one Tl(1) atom.