data_ScGa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   4.27
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Re
_chemical_formula_sum   'Sc1 Ga2 Re1'
_cell_volume   65.21
_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  Sc3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.14  0.17  1.0
  Ga  Ga1  1  0.76  0.14  0.0  1.0
  Re  Re2  1  0.76  0.0  0.17  1.0

data_ScGa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.27
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Re
_chemical_formula_sum   'Sc1 Ga2 Re1'
_cell_volume   65.21
_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
  Ga  Ga1  1  0.0  0.14  0.17  1.0
  Ga  Ga2  1  0.76  0.14  0.0  1.0
  Re  Re3  1  0.76  0.0  0.17  1.0

Sc Ga Ga Re
Sc Ga Ga Re 0 3 - o o 0 2 - o o 0 1 o o o 1 3 - o o 1 2 - o o 2 3 o o o 
ScReGa2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScReGa2 cluster. Sc(1) is bonded in a 3-coordinate geometry to one Re(1), one Ga(1), and one Ga(2) atom. The Sc(1)-Re(1) bond length is 1.13 Å. The Sc(1)-Ga(1) bond length is 0.94 Å. The Sc(1)-Ga(2) bond length is 1.03 Å. Re(1) is bonded in a 3-coordinate geometry to one Sc(1), one Ga(1), and one Ga(2) atom. The Re(1)-Ga(1) bond length is 1.03 Å. The Re(1)-Ga(2) bond length is 0.94 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Re(1) atom. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Sc(1) and one Re(1) atom.