data_BeAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   2.77
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl
_chemical_formula_sum   'Be2 Al2'
_cell_volume   50.03
_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  0.16  0.0  0.73  1.0
  Be  Be3  1  0.05  0.0  0.57  1.0
  Al  Al0  1  0.16  0.38  0.98  1.0
  Al  Al1  1  0.05  0.38  0.32  1.0

data_BeAl
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.21
_cell_length_b   2.77
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BeAl
_chemical_formula_sum   'Be2 Al2'
_cell_volume   50.03
_cell_formula_units_Z   2
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  0.05  0.0  0.58  1.0
  Al  Al1  2  0.05  0.38  0.83  1.0

Be Be Al Al