data_HfBe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   3.05
_cell_angle_alpha   90.83
_cell_angle_beta   90.83
_cell_angle_gamma   103.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ru
_chemical_formula_sum   'Hf1 Be2 Ru1'
_cell_volume   51.54
_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
  Hf  Hf2  1  0.58  0.0  0.0  1.0
  Be  Be0  1  0.26  0.36  0.52  1.0
  Be  Be1  1  0.26  0.64  0.52  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfBe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   103.42
_cell_angle_beta   90.83
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ru
_chemical_formula_sum   'Hf1 Be2 Ru1'
_cell_volume   51.54
_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
  Hf  Hf0  1  0.0  0.58  0.0  1.0
  Be  Be1  1  0.52  0.26  0.36  1.0
  Be  Be2  1  0.52  0.26  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Be Be Ru
Be2HfRu crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to one Be(2) and two equivalent Ru(1) atoms. The Be(1)-Be(2) bond length is 1.14 Å. There is one shorter (2.21 Å) and one longer (2.26 Å) Be(1)-Ru(1) bond length. In the second Be site, Be(2) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Hf(1), and two equivalent Ru(1) atoms. There is one shorter (2.28 Å) and one longer (2.42 Å) Be(2)-Hf(1) bond length. There is one shorter (2.51 Å) and one longer (2.60 Å) Be(2)-Ru(1) bond length. Hf(1) is bonded in a distorted single-bond geometry to two equivalent Be(2) and two equivalent Ru(1) atoms. There is one shorter (1.73 Å) and one longer (2.44 Å) Hf(1)-Ru(1) bond length. Ru(1) is bonded in a 6-coordinate geometry to two equivalent Be(1), two equivalent Be(2), and two equivalent Hf(1) atoms.