data_Be2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   132.0
_cell_angle_beta   132.0
_cell_angle_gamma   70.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be2 Al1 Ni1'
_cell_volume   41.12
_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  0.0  0.72  0.73  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.46  1.0
  Ni  Ni3  1  0.72  0.0  0.73  1.0

data_Be2AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   4.23
_cell_angle_alpha   114.0
_cell_angle_beta   114.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be2 Al1 Ni1'
_cell_volume   41.12
_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
  Be  Be1  1  0.01  0.73  0.01  1.0
  Al  Al2  1  0.46  0.46  0.46  1.0
  Ni  Ni3  1  0.73  0.01  0.01  1.0

Be Be Al Ni
Be2NiAl crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 1-coordinate geometry to one Be(2) and two equivalent Al(1) atoms. The Be(1)-Be(2) bond length is 0.94 Å. There is one shorter (2.11 Å) and one longer (2.45 Å) Be(1)-Al(1) bond length. In the second Be site, Be(2) is bonded in a 1-coordinate geometry to one Be(1), one Ni(1), and one Al(1) atom. The Be(2)-Ni(1) bond length is 0.94 Å. The Be(2)-Al(1) bond length is 1.96 Å. Ni(1) is bonded in a single-bond geometry to one Be(2) and two equivalent Al(1) atoms. There is one shorter (2.11 Å) and one longer (2.45 Å) Ni(1)-Al(1) bond length. Al(1) is bonded in a 5-coordinate geometry to one Be(2), two equivalent Be(1), and two equivalent Ni(1) atoms.