data_Be2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be2 Al1 Ni1'
_cell_volume   41.55
_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  Be1  1  0.42  0.42  0.47  1.0
  Be  Be2  1  0.42  0.42  0.66  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.56  1.0

data_Be2AlNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be4 Al2 Ni2'
_cell_volume   83.1
_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  0.42  0.0  0.47  1.0
  Be  Be1  2  0.42  0.0  0.66  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.56  1.0

Be Be Al Ni
Be2NiAl crystallizes in the monoclinic Cm space group. Be(1,2) is bonded in a 1-coordinate geometry to one Be(1,2) and four equivalent Ni(1) atoms. The Be(1,2)-Be(1,2) bond length is 0.98 Å. There are a spread of Be(1,2)-Ni(1) bond distances ranging from 1.77-2.37 Å. Ni(1) is bonded in a 10-coordinate geometry to eight equivalent Be(1,2) and two equivalent Al(1) atoms. There is one shorter (2.24 Å) and one longer (2.89 Å) Ni(1)-Al(1) bond length. Al(1) is bonded in a 1-coordinate geometry to two equivalent Ni(1) atoms.