data_Sr2GaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaRu
_chemical_formula_sum   'Sr2 Ga1 Ru1'
_cell_volume   94.71
_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  Sr2  1  0.62  0.62  0.62  1.0
  Sr  Sr3  1  0.43  0.43  0.43  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.81  0.81  0.81  1.0

data_Sr2GaRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2GaRu
_chemical_formula_sum   'Sr6 Ga3 Ru3'
_cell_volume   284.13
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.38  1.0
  Sr  Sr1  3  0.0  0.0  0.57  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.19  1.0

Sr Sr Ga Ru
Sr2RuGa crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Sr(2), one Ru(1), and three equivalent Ga(1) atoms. The Sr(1)-Sr(2) bond length is 2.39 Å. The Sr(1)-Ru(1) bond length is 2.39 Å. All Sr(1)-Ga(1) bond lengths are 3.02 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one Sr(1), three equivalent Ru(1), and three equivalent Ga(1) atoms. All Sr(2)-Ru(1) bond lengths are 3.02 Å. All Sr(2)-Ga(1) bond lengths are 3.18 Å. Ru(1) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one Ga(1) atom. The Ru(1)-Ga(1) bond length is 2.39 Å. Ga(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and one Ru(1) atom.