data_BeAlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlGa
_chemical_formula_sum   'Be1 Al1 Ga1'
_cell_volume   47.87
_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  0.0  1.0
  Al  Al0  1  0.88  0.88  0.88  1.0
  Ga  Ga2  1  0.44  0.44  0.44  1.0

data_BeAlGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeAlGa
_chemical_formula_sum   'Be3 Al3 Ga3'
_cell_volume   143.62
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.12  1.0
  Ga  Ga2  3  0.0  0.0  0.56  1.0

Be Al Ga
BeGaAl crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent Ga(1) and one Al(1) atom to form distorted BeAlGa3 tetrahedra that share corners with three equivalent Ga(1)Be3Al3 octahedra and corners with six equivalent Be(1)AlGa3 tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Be(1)-Ga(1) bond lengths are 2.59 Å. The Be(1)-Al(1) bond length is 1.18 Å. Ga(1) is bonded to three equivalent Be(1) and three equivalent Al(1) atoms to form distorted GaBe3Al3 octahedra that share corners with three equivalent Be(1)AlGa3 tetrahedra and edges with six equivalent Ga(1)Be3Al3 octahedra. All Ga(1)-Al(1) bond lengths are 2.59 Å. Al(1) is bonded in a distorted single-bond geometry to one Be(1) and three equivalent Ga(1) atoms.