data_AlB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlB2Ru
_chemical_formula_sum   'Al1 B2 Ru1'
_cell_volume   39.85
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.27  0.38  0.42  1.0
  B  B2  1  0.27  0.62  0.42  1.0
  Ru  Ru3  1  0.53  0.0  0.0  1.0

data_AlB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.75
_cell_length_c   3.75
_cell_angle_alpha   94.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlB2Ru
_chemical_formula_sum   'Al1 B2 Ru1'
_cell_volume   39.85
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.42  0.27  0.38  1.0
  B  B2  1  0.42  0.27  0.62  1.0
  Ru  Ru3  1  0.0  0.53  0.0  1.0

Al B B Ru
Al B B Ru 0 3 - o o 0 3 o o o 0 2 o - o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o + o 
RuAlB2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a 6-coordinate geometry to two equivalent Al(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (1.75 Å) and one longer (2.00 Å) Ru(1)-Al(1) bond length. There is one shorter (2.18 Å) and one longer (2.45 Å) Ru(1)-B(1) bond length. There is one shorter (2.06 Å) and one longer (2.34 Å) Ru(1)-B(2) bond length. Al(1) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (2.06 Å) and one longer (2.34 Å) Al(1)-B(1) bond length. There is one shorter (2.18 Å) and one longer (2.45 Å) Al(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Ru(1), two equivalent Al(1), and one B(2) atom. The B(1)-B(2) bond length is 0.89 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent Ru(1), two equivalent Al(1), and one B(1) atom.