data_Hf2BeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeBi
_chemical_formula_sum   'Hf2 Be1 Bi1'
_cell_volume   79.99
_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  0.0  0.15  0.16  1.0
  Hf  Hf3  1  0.15  0.0  0.16  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.31  1.0

data_Hf2BeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   125.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2BeBi
_chemical_formula_sum   'Hf4 Be2 Bi2'
_cell_volume   159.98
_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
  Hf  Hf0  4  0.42  0.42  0.0  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.31  1.0

Hf Hf Be Bi
BeHf2Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeHf2Bi clusters. Be(1) is bonded in an L-shaped geometry to two equivalent Hf(1) atoms. Both Be(1)-Hf(1) bond lengths are 0.67 Å. Hf(1) is bonded in a distorted single-bond geometry to one Be(1) and one Bi(1) atom. The Hf(1)-Bi(1) bond length is 1.49 Å. Bi(1) is bonded in a 2-coordinate geometry to two equivalent Hf(1) atoms.