data_BaSbRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbRu3
_chemical_formula_sum   'Ba1 Sb1 Ru3'
_cell_volume   123.66
_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
  Ba  Ba1  1  0.49  0.49  0.49  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.49  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.49  1.0
  Ru  Ru4  1  0.49  0.0  0.0  1.0

data_BaSbRu3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSbRu3
_chemical_formula_sum   'Ba3 Sb3 Ru9'
_cell_volume   370.97
_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
  Ba  Ba0  3  0.0  0.0  0.49  1.0
  Sb  Sb1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  9  0.17  0.34  0.83  1.0

Ba Sb Ru Ru Ru
BaRu3Sb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to twelve equivalent Ru(1) atoms to form BaRu12 cuboctahedra that share corners with twelve equivalent Ba(1)Ru12 cuboctahedra, faces with six equivalent Ba(1)Ru12 cuboctahedra, and faces with eight equivalent Sb(1)Ru6 octahedra. There are a spread of Ba(1)-Ru(1) bond distances ranging from 3.46-3.59 Å. Ru(1) is bonded to four equivalent Ba(1) and two equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing RuBa4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. There is one shorter (2.45 Å) and one longer (2.54 Å) Ru(1)-Sb(1) bond length. Sb(1) is bonded to six equivalent Ru(1) atoms to form SbRu6 octahedra that share corners with six equivalent Sb(1)Ru6 octahedra and faces with eight equivalent Ba(1)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted.