data_SrAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlRu2
_chemical_formula_sum   'Sr1 Al1 Ru2'
_cell_volume   73.77
_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  0.99  0.99  0.99  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.33  0.33  0.33  1.0
  Ru  Ru2  1  0.66  0.66  0.66  1.0

data_SrAlRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrAlRu2
_chemical_formula_sum   'Sr3 Al3 Ru6'
_cell_volume   221.31
_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  0.01  1.0
  Al  Al1  3  0.0  0.0  1.0  1.0
  Ru  Ru2  3  0.0  0.0  0.34  1.0
  Ru  Ru3  3  0.0  0.0  0.67  1.0

Sr Al Ru Ru
SrRu2Al crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to three equivalent Ru(1), four equivalent Ru(2), and one Al(1) atom. All Sr(1)-Ru(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.79 Å) Sr(1)-Ru(2) bond length. The Sr(1)-Al(1) bond length is 0.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted q6 geometry to three equivalent Sr(1), three equivalent Ru(2), and three equivalent Al(1) atoms. All Ru(1)-Ru(2) bond lengths are 2.72 Å. All Ru(1)-Al(1) bond lengths are 2.72 Å. In the second Ru site, Ru(2) is bonded in a distorted q6 geometry to four equivalent Sr(1), three equivalent Ru(1), and three equivalent Al(1) atoms. All Ru(2)-Al(1) bond lengths are 2.72 Å. Al(1) is bonded in a single-bond geometry to one Sr(1), three equivalent Ru(1), and three equivalent Ru(2) atoms.