data_Bi3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   152.22
_cell_angle_beta   138.92
_cell_angle_gamma   50.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Ru
_chemical_formula_sum   'Bi3 Ru1'
_cell_volume   107.16
_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  Bi0  1  0.0  0.0  0.39  1.0
  Bi  Bi1  1  0.69  0.0  0.3  1.0
  Bi  Bi2  1  0.0  0.48  0.09  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Bi3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.95
_cell_length_c   7.06
_cell_angle_alpha   110.54
_cell_angle_beta   103.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Ru
_chemical_formula_sum   'Bi3 Ru1'
_cell_volume   107.16
_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  Bi0  1  0.4  0.7  0.4  1.0
  Bi  Bi1  1  0.61  0.61  0.61  1.0
  Bi  Bi2  1  0.91  0.39  0.39  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Bi Bi Bi Ru
Bi Bi Bi Ru 0 1 - o o 0 2 o - o 0 2 o o + 0 3 o o o 1 2 + o + 1 2 + - o 2 3 o o o 3 3 o + + 
RuBi3 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1), one Bi(2), and one Bi(3) atom. The Ru(1)-Bi(1) bond length is 2.73 Å. The Ru(1)-Bi(2) bond length is 3.59 Å. The Ru(1)-Bi(3) bond length is 2.82 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one Ru(1), one Bi(2), and two equivalent Bi(3) atoms. The Bi(1)-Bi(2) bond length is 1.74 Å. There is one shorter (2.08 Å) and one longer (2.52 Å) Bi(1)-Bi(3) bond length. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one Ru(1), one Bi(1), and two equivalent Bi(3) atoms. There is one shorter (2.24 Å) and one longer (2.34 Å) Bi(2)-Bi(3) bond length. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one Ru(1), two equivalent Bi(1), and two equivalent Bi(2) atoms.