data_BiBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBRu2
_chemical_formula_sum   'Bi1 B1 Ru2'
_cell_volume   60.32
_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
  Bi  Bi1  1  0.0  0.0  0.5  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.47  0.47  0.1  1.0
  Ru  Ru3  1  0.47  0.47  0.91  1.0

data_BiBRu2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   4.15
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   BiBRu2
_chemical_formula_sum   'Bi2 B2 Ru4'
_cell_volume   120.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Bi  Bi0  2  0.5  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.09  0.0  0.47  1.0

Bi B Ru Ru
Bi B Ru Ru 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 0 1 o o + 1 3 - - - 1 3 - o - 1 3 o - - 1 3 o o - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o o - 
Ru2BBi crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Ru(2), four equivalent B(1), and four equivalent Bi(1) atoms. The Ru(1)-Ru(2) bond length is 1.33 Å. There are a spread of Ru(1)-B(1) bond distances ranging from 2.06-2.32 Å. There are a spread of Ru(1)-Bi(1) bond distances ranging from 3.44-3.60 Å. In the second Ru site, Ru(2) is bonded in a 1-coordinate geometry to one Ru(1), four equivalent B(1), and four equivalent Bi(1) atoms. There are a spread of Ru(2)-B(1) bond distances ranging from 2.04-2.30 Å. There are a spread of Ru(2)-Bi(1) bond distances ranging from 3.44-3.60 Å. B(1) is bonded to four equivalent Ru(1) and four equivalent Ru(2) atoms to form BRu8 hexagonal bipyramids that share corners with eight equivalent Bi(1)Bi4Ru8 cuboctahedra, edges with eight equivalent Bi(1)Bi4Ru8 cuboctahedra, edges with four equivalent B(1)Ru8 hexagonal bipyramids, faces with two equivalent Bi(1)Bi4Ru8 cuboctahedra, and faces with four equivalent B(1)Ru8 hexagonal bipyramids. Bi(1) is bonded to four equivalent Ru(1), four equivalent Ru(2), and four equivalent Bi(1) atoms to form distorted BiBi4Ru8 cuboctahedra that share corners with four equivalent Bi(1)Bi4Ru8 cuboctahedra, corners with eight equivalent B(1)Ru8 hexagonal bipyramids, edges with eight equivalent B(1)Ru8 hexagonal bipyramids, faces with eight equivalent Bi(1)Bi4Ru8 cuboctahedra, and faces with two equivalent B(1)Ru8 hexagonal bipyramids. All Bi(1)-Bi(1) bond lengths are 2.93 Å.