data_Bi2BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2BRu
_chemical_formula_sum   'Bi2 B1 Ru1'
_cell_volume   78.67
_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  0.1  0.1  0.1  1.0
  Bi  Bi2  1  0.7  0.7  0.7  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.4  0.4  0.4  1.0

data_Bi2BRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Bi2BRu
_chemical_formula_sum   'Bi6 B3 Ru3'
_cell_volume   236.01
_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
  Bi  Bi0  3  0.0  0.0  0.3  1.0
  Bi  Bi1  3  0.0  0.0  0.9  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.6  1.0

Bi Bi B Ru
RuBBi2 crystallizes in the trigonal R3m space group. Ru(1) is bonded in a 11-coordinate geometry to three equivalent B(1), four equivalent Bi(1), and four equivalent Bi(2) atoms. All Ru(1)-B(1) bond lengths are 2.89 Å. There are three shorter (2.81 Å) and one longer (3.53 Å) Ru(1)-Bi(1) bond length. There are three shorter (2.81 Å) and one longer (3.53 Å) Ru(1)-Bi(2) bond length. B(1) is bonded in a single-bond geometry to three equivalent Ru(1), one Bi(1), and three equivalent Bi(2) atoms. The B(1)-Bi(1) bond length is 1.19 Å. All B(1)-Bi(2) bond lengths are 2.81 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to four equivalent Ru(1), one B(1), and three equivalent Bi(2) atoms. All Bi(1)-Bi(2) bond lengths are 2.89 Å. In the second Bi site, Bi(2) is bonded in a 10-coordinate geometry to four equivalent Ru(1), three equivalent B(1), and three equivalent Bi(1) atoms.