data_SrBRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBRu
_chemical_formula_sum   'Sr1 B1 Ru1'
_cell_volume   66.17
_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  0.61  0.61  0.61  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.21  0.21  0.21  1.0

data_SrBRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBRu
_chemical_formula_sum   'Sr3 B3 Ru3'
_cell_volume   198.52
_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  0.39  1.0
  B  B1  3  0.0  0.0  -0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.79  1.0

Sr B Ru
Sr B Ru 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 
SrRuB crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ru(1) and three equivalent B(1) atoms. All Sr(1)-Ru(1) bond lengths are 2.71 Å. All Sr(1)-B(1) bond lengths are 2.71 Å. Ru(1) is bonded to three equivalent Sr(1) and one B(1) atom to form distorted RuSr3B tetrahedra that share corners with three equivalent B(1)Sr3Ru tetrahedra, corners with six equivalent Ru(1)Sr3B tetrahedra, and edges with three equivalent B(1)Sr3Ru tetrahedra. The Ru(1)-B(1) bond length is 2.34 Å. B(1) is bonded to three equivalent Sr(1) and one Ru(1) atom to form distorted BSr3Ru tetrahedra that share corners with three equivalent Ru(1)Sr3B tetrahedra, corners with six equivalent B(1)Sr3Ru tetrahedra, and edges with three equivalent Ru(1)Sr3B tetrahedra.