data_Sr2ScGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   143.46
_cell_angle_beta   143.46
_cell_angle_gamma   52.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScGa2
_chemical_formula_sum   'Sr2 Sc1 Ga2'
_cell_volume   149.25
_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
  Sr  Sr3  1  0.0  0.35  0.37  1.0
  Sr  Sr4  1  0.35  0.0  0.37  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.92  1.0
  Ga  Ga1  1  0.0  0.0  0.54  1.0

data_Sr2ScGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   116.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScGa2
_chemical_formula_sum   'Sr4 Sc2 Ga4'
_cell_volume   298.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  4  0.19  0.18  0.01  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.04  0.5  0.54  1.0
  Ga  Ga3  2  0.42  0.5  0.92  1.0

Sr Sr Sc Ga Ga
Sr2ScGa2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to one Sc(1) and two equivalent Ga(2) atoms. The Sr(1)-Sc(1) bond length is 1.70 Å. There is one shorter (3.82 Å) and one longer (3.86 Å) Sr(1)-Ga(2) bond length. Sc(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Ga(1) atom. The Sc(1)-Ga(1) bond length is 0.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Sc(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 2.83 Å. In the second Ga site, Ga(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Ga(1) atom.