data_BaSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbRu2
_chemical_formula_sum   'Ba1 Sb1 Ru2'
_cell_volume   90.1
_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  Ba0  1  0.33  0.0  0.8  1.0
  Sb  Sb3  1  0.0  0.0  0.67  1.0
  Ru  Ru1  1  0.0  0.0  0.52  1.0
  Ru  Ru2  1  0.33  0.0  0.25  1.0

data_BaSbRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaSbRu2
_chemical_formula_sum   'Ba1 Sb1 Ru2'
_cell_volume   90.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ba0  1  0.33  0.0  0.8  1.0
  Sb  Sb1  1  0.0  0.0  0.67  1.0
  Ru  Ru2  1  0.0  0.0  0.52  1.0
  Ru  Ru3  1  0.33  0.0  0.25  1.0

Ba Sb Ru Ru
BaRu2Sb crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 1-coordinate geometry to one Ru(2) and two equivalent Sb(1) atoms. The Ba(1)-Ru(2) bond length is 3.62 Å. There is one shorter (1.50 Å) and one longer (2.45 Å) Ba(1)-Sb(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to two equivalent Ru(2) and one Sb(1) atom. There is one shorter (2.47 Å) and one longer (3.14 Å) Ru(1)-Ru(2) bond length. The Ru(1)-Sb(1) bond length is 1.25 Å. In the second Ru site, Ru(2) is bonded in a 7-coordinate geometry to one Ba(1), two equivalent Ru(1), and four equivalent Ru(2) atoms. All Ru(2)-Ru(2) bond lengths are 3.34 Å. Sb(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Ru(1) atom.