data_ZrBe2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Al
_chemical_formula_sum   'Zr1 Be2 Al1'
_cell_volume   56.84
_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
  Zr  Zr3  1  0.97  0.97  0.0  1.0
  Be  Be1  1  0.0  0.97  0.84  1.0
  Be  Be2  1  0.97  0.0  0.84  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_ZrBe2Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBe2Al
_chemical_formula_sum   'Zr2 Be4 Al2'
_cell_volume   113.68
_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
  Zr  Zr0  2  0.47  0.5  0.0  1.0
  Be  Be1  4  0.48  0.48  0.84  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0

Zr Be Be Al
Zr Be Be Al 0 3 + + o 1 2 - + o 
(Be)2ZrAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two aluminium--zirconium (1/1) molecules and two Be clusters. In each Be cluster, Be(1) is bonded in a distorted single-bond geometry to one Be(1) atom. The Be(1)-Be(1) bond length is 0.18 Å.