data_TiBi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.52
_cell_angle_alpha   106.22
_cell_angle_beta   106.22
_cell_angle_gamma   34.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Ru
_chemical_formula_sum   'Ti1 Bi2 Ru1'
_cell_volume   90.12
_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
  Ti  Ti3  1  0.95  0.0  0.97  1.0
  Bi  Bi0  1  0.69  0.0  0.91  1.0
  Bi  Bi1  1  0.54  0.0  0.63  1.0
  Ru  Ru2  1  0.88  0.0  0.69  1.0

data_TiBi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.47
_cell_length_c   5.52
_cell_angle_alpha   106.22
_cell_angle_beta   90.0
_cell_angle_gamma   107.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Ru
_chemical_formula_sum   'Ti1 Bi2 Ru1'
_cell_volume   90.12
_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
  Ti  Ti0  1  0.0  0.05  0.03  1.0
  Bi  Bi1  1  0.0  0.31  0.09  1.0
  Bi  Bi2  1  0.0  0.46  0.37  1.0
  Ru  Ru3  1  0.0  0.12  0.31  1.0

Ti Bi Bi Ru
TiRuBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiRuBi2 cluster. Ti(1) is bonded in a distorted L-shaped geometry to one Ru(1) and one Bi(1) atom. The Ti(1)-Ru(1) bond length is 1.47 Å. The Ti(1)-Bi(1) bond length is 1.41 Å. Ru(1) is bonded in a 1-coordinate geometry to one Ti(1) and one Bi(2) atom. The Ru(1)-Bi(2) bond length is 1.79 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.53 Å. In the second Bi site, Bi(2) is bonded in a 2-coordinate geometry to one Ru(1) and one Bi(1) atom.