data_Be3Al5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Al5
_chemical_formula_sum   'Be3 Al5'
_cell_volume   109.52
_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  Be5  1  0.0  0.0  0.0  1.0
  Be  Be6  1  0.73  0.94  0.9  1.0
  Be  Be7  1  0.73  0.06  0.9  1.0
  Al  Al0  1  0.73  0.0  0.0  1.0
  Al  Al1  1  0.86  0.06  0.0  1.0
  Al  Al2  1  0.86  0.94  0.0  1.0
  Al  Al3  1  0.76  0.0  0.9  1.0
  Al  Al4  1  0.69  0.0  0.9  1.0

data_Be3Al5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.79
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Be3Al5
_chemical_formula_sum   'Be3 Al5'
_cell_volume   109.6
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.9  0.06  0.73  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Al  Al2  2  0.0  0.06  0.86  1.0
  Al  Al3  1  0.0  0.0  0.73  1.0
  Al  Al4  1  0.9  0.0  0.69  1.0
  Al  Al5  1  0.9  0.0  0.76  1.0

Be Be Be Al Al Al Al Al
Be Be Be Al Al Al Al Al 0 5 - - o 0 4 - o o 1 7 o + o 1 6 o + o 1 3 o + + 1 5 o o + 2 7 o o o 2 6 o o o 2 3 o o + 2 4 o o + 3 7 o o - 3 6 o o - 3 4 o o o 3 5 o - o 4 6 o o - 4 5 o - o 5 6 o + - 6 7 o o o 