data_BeAl2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.32
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2B
_chemical_formula_sum   'Be1 Al2 B1'
_cell_volume   46.48
_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  Be3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.5  0.66  0.33  1.0
  Al  Al1  1  0.66  0.66  0.75  1.0
  B  B2  1  0.7  0.0  0.54  1.0

data_BeAl2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.32
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2B
_chemical_formula_sum   'Be1 Al2 B1'
_cell_volume   46.48
_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  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.5  0.66  0.33  1.0
  Al  Al2  1  0.66  0.66  0.75  1.0
  B  B3  1  0.7  0.0  0.54  1.0

Be Al Al B
BeAl2B crystallizes in the triclinic P1 space group. Be(1) is bonded in a 6-coordinate geometry to two equivalent Al(1), three equivalent Al(2), and one B(1) atom. There is one shorter (2.36 Å) and one longer (2.57 Å) Be(1)-Al(1) bond length. There are a spread of Be(1)-Al(2) bond distances ranging from 1.88-2.65 Å. The Be(1)-B(1) bond length is 2.39 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to two equivalent Be(1) and one B(1) atom. The Al(1)-B(1) bond length is 1.61 Å. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to three equivalent Be(1) and one B(1) atom. The Al(2)-B(1) bond length is 1.57 Å. B(1) is bonded in a distorted L-shaped geometry to one Be(1), one Al(1), and one Al(2) atom.