data_ScGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.91
_cell_angle_beta   132.93
_cell_angle_gamma   59.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaRu2
_chemical_formula_sum   'Sc1 Ga1 Ru2'
_cell_volume   61.5
_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  0.58  1.0
  Ga  Ga0  1  0.0  0.13  0.46  1.0
  Ru  Ru1  1  0.0  0.0  0.01  1.0
  Ru  Ru2  1  0.56  0.0  0.2  1.0

data_ScGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.25
_cell_length_c   5.33
_cell_angle_alpha   113.54
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaRu2
_chemical_formula_sum   'Sc1 Ga1 Ru2'
_cell_volume   61.5
_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  0.58  0.58  1.0
  Ga  Ga1  1  0.87  0.33  0.33  1.0
  Ru  Ru2  1  0.0  0.01  0.01  1.0
  Ru  Ru3  1  0.0  0.2  0.64  1.0

Sc Ga Ru Ru
Sc Ga Ru Ru 0 1 o o o 0 3 - o o 1 2 o o o 1 3 - o o 
ScRu2Ga crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 4-coordinate geometry to one Ru(1), two equivalent Ru(2), and one Ga(1) atom. The Sc(1)-Ru(1) bond length is 2.31 Å. There is one shorter (1.76 Å) and one longer (2.54 Å) Sc(1)-Ru(2) bond length. The Sc(1)-Ga(1) bond length is 1.29 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Sc(1) and two equivalent Ga(1) atoms. There is one shorter (1.83 Å) and one longer (2.75 Å) Ru(1)-Ga(1) bond length. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Ga(1) atom. The Ru(2)-Ga(1) bond length is 1.89 Å. Ga(1) is bonded in a 4-coordinate geometry to one Sc(1), one Ru(2), and two equivalent Ru(1) atoms.