data_Be3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Al
_chemical_formula_sum   'Be6 Al2'
_cell_volume   86.13
_cell_formula_units_Z   2
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  0.1  0.0  0.21  1.0
  Be  Be3  1  0.31  0.0  0.21  1.0
  Be  Be4  1  0.21  0.1  0.0  1.0
  Be  Be5  1  0.21  0.31  0.0  1.0
  Be  Be6  1  0.0  0.21  0.31  1.0
  Be  Be7  1  0.0  0.21  0.1  1.0
  Al  Al0  1  0.21  0.21  0.21  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0

data_Be3Al
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Be3Al
_chemical_formula_sum   'Be18 Al6'
_cell_volume   258.39
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.0  0.9  0.1  1.0
  Be  Be1  9  0.03  0.17  0.17  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Al  Al3  3  0.0  0.0  0.21  1.0

Be Be Be Be Be Be Al Al