data_ScGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa
_chemical_formula_sum   'Sc2 Ga2'
_cell_volume   86.25
_cell_formula_units_Z   2
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  0.09  0.21  0.29  1.0
  Sc  Sc3  1  0.0  0.41  0.43  1.0
  Ga  Ga0  1  0.0  0.0  0.86  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_ScGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa
_chemical_formula_sum   'Sc2 Ga2'
_cell_volume   86.25
_cell_formula_units_Z   2
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  0.41  0.43  1.0
  Sc  Sc1  1  0.09  0.21  0.29  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.86  1.0

Sc Sc Ga Ga
Sc Sc Ga Ga 0 1 o o o 2 3 o o + 
ScGa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScGa cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Ga(2) atom. The Sc(1)-Sc(2) bond length is 1.36 Å. The Sc(1)-Ga(2) bond length is 1.80 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one Sc(1) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to one Ga(2) atom. The Ga(1)-Ga(2) bond length is 0.81 Å. In the second Ga site, Ga(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one Ga(1) atom.