data_BSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Ru
_chemical_formula_sum   'B1 Sb2 Ru1'
_cell_volume   69.76
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.55  0.2  0.57  1.0
  Sb  Sb3  1  0.55  0.8  0.57  1.0
  Ru  Ru1  1  0.09  0.0  0.0  1.0

data_BSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   98.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Ru
_chemical_formula_sum   'B1 Sb2 Ru1'
_cell_volume   69.76
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.57  0.55  0.2  1.0
  Sb  Sb2  1  0.57  0.55  0.8  1.0
  Ru  Ru3  1  0.0  0.09  0.0  1.0

B Sb Sb Ru
B Sb Sb Ru 0 3 o o o 1 2 o - o 
RuBSb2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a single-bond geometry to one B(1) and two equivalent Sb(1) atoms. The Ru(1)-B(1) bond length is 0.43 Å. There is one shorter (2.60 Å) and one longer (2.84 Å) Ru(1)-Sb(1) bond length. B(1) is bonded in a single-bond geometry to one Ru(1) and one Sb(1) atom. The B(1)-Sb(1) bond length is 2.83 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent Ru(1), one B(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Sb(1)-Sb(1) bond lengths are 3.13 Å. There is one shorter (1.89 Å) and one longer (2.86 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a 1-coordinate geometry to two equivalent Sb(1) atoms.