data_BeAl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Cu
_chemical_formula_sum   'Be1 Al2 Cu1'
_cell_volume   52.5
_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  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.34  0.19  0.35  1.0
  Al  Al1  1  0.34  0.81  0.35  1.0
  Cu  Cu3  1  0.68  0.0  0.0  1.0

data_BeAl2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   106.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Cu
_chemical_formula_sum   'Be1 Al2 Cu1'
_cell_volume   52.5
_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  0.35  0.34  0.19  1.0
  Al  Al2  1  0.35  0.34  0.81  1.0
  Cu  Cu3  1  -0.0  0.68  0.0  1.0

Be Al Al Cu
BeCuAl2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a 1-coordinate geometry to one Cu(1) and two equivalent Al(1) atoms. The Be(1)-Cu(1) bond length is 1.43 Å. There is one shorter (1.80 Å) and one longer (2.33 Å) Be(1)-Al(1) bond length. Cu(1) is bonded in a 2-coordinate geometry to one Be(1), one Al(2), and two equivalent Al(1) atoms. The Cu(1)-Al(2) bond length is 1.80 Å. There is one shorter (2.18 Å) and one longer (2.64 Å) Cu(1)-Al(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent Cu(1), two equivalent Al(1), and two equivalent Al(2) atoms. Both Al(1)-Al(1) bond lengths are 2.70 Å. There is one shorter (1.71 Å) and one longer (2.80 Å) Al(1)-Al(2) bond length. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to one Cu(1) and two equivalent Al(1) atoms.