data_BeAlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlNi2
_chemical_formula_sum   'Be1 Al1 Ni2'
_cell_volume   43.69
_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  0.0  0.23  1.0
  Al  Al0  1  0.43  0.43  0.65  1.0
  Ni  Ni2  1  0.43  0.43  0.14  1.0
  Ni  Ni3  1  0.0  0.0  0.33  1.0

data_BeAlNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAlNi2
_chemical_formula_sum   'Be2 Al2 Ni4'
_cell_volume   87.38
_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  0.0  0.0  0.23  1.0
  Al  Al1  2  0.43  0.0  0.65  1.0
  Ni  Ni2  2  0.0  0.0  0.33  1.0
  Ni  Ni3  2  0.43  0.0  0.14  1.0

Be Al Ni Ni
BeNi2Al crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Ni(2) and four equivalent Ni(1) atoms. The Be(1)-Ni(2) bond length is 0.52 Å. There are a spread of Be(1)-Ni(1) bond distances ranging from 1.80-2.36 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and two equivalent Al(1) atoms. There is one shorter (2.62 Å) and one longer (2.72 Å) Ni(1)-Al(1) bond length. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Be(1) and four equivalent Al(1) atoms. There are a spread of Ni(2)-Al(1) bond distances ranging from 2.44-2.88 Å. Al(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.86 Å.