data_LiScGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.65
_cell_angle_alpha   110.05
_cell_angle_beta   110.05
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScGa2
_chemical_formula_sum   'Li1 Sc1 Ga2'
_cell_volume   73.84
_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
  Li  Li2  1  0.45  0.0  0.33  1.0
  Sc  Sc3  1  0.26  0.0  0.95  1.0
  Ga  Ga0  1  0.22  0.0  0.01  1.0
  Ga  Ga1  1  0.58  0.0  0.21  1.0

data_LiScGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.65
_cell_length_c   5.46
_cell_angle_alpha   110.05
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScGa2
_chemical_formula_sum   'Li1 Sc1 Ga2'
_cell_volume   73.84
_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
  Li  Li0  1  0.0  0.33  0.45  1.0
  Sc  Sc1  1  0.0  0.95  0.26  1.0
  Ga  Ga2  1  0.0  0.01  0.22  1.0
  Ga  Ga3  1  0.0  0.21  0.58  1.0

Li Sc Ga Ga
Li Sc Ga Ga 0 3 o o o 1 2 o o + 
LiScGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiScGa2 cluster. Li(1) is bonded in a distorted L-shaped geometry to one Ga(1) and one Ga(2) atom. The Li(1)-Ga(1) bond length is 1.57 Å. The Li(1)-Ga(2) bond length is 1.04 Å. Sc(1) is bonded in a single-bond geometry to one Ga(1) atom. The Sc(1)-Ga(1) bond length is 0.41 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Li(1) and one Sc(1) atom. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Li(1) atom.