data_BeB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Ru
_chemical_formula_sum   'Be1 B2 Ru1'
_cell_volume   33.43
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.38  0.38  0.51  1.0
  B  B1  1  0.38  0.38  0.9  1.0
  Ru  Ru3  1  0.0  0.0  0.21  1.0

data_BeB2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeB2Ru
_chemical_formula_sum   'Be2 B4 Ru2'
_cell_volume   66.87
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.38  0.0  0.51  1.0
  B  B2  2  0.38  0.0  0.9  1.0
  Ru  Ru3  2  0.0  0.0  0.21  1.0

Be B B Ru
BeRuB2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one Ru(1) and one B(2) atom. The Be(1)-Ru(1) bond length is 0.91 Å. The Be(1)-B(2) bond length is 1.53 Å. Ru(1) is bonded in a single-bond geometry to one Be(1) and four equivalent B(1) atoms. There are a spread of Ru(1)-B(1) bond distances ranging from 1.99-2.78 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to four equivalent Ru(1) and one B(2) atom. The B(1)-B(2) bond length is 1.73 Å. In the second B site, B(2) is bonded in a 1-coordinate geometry to one Be(1) and one B(1) atom.