data_NaBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeAl2
_chemical_formula_sum   'Na1 Be1 Al2'
_cell_volume   68.85
_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
  Na  Na3  1  0.83  0.0  0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.41  0.8  0.38  1.0
  Al  Al1  1  0.41  0.2  0.38  1.0

data_NaBeAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   114.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeAl2
_chemical_formula_sum   'Na1 Be1 Al2'
_cell_volume   68.85
_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
  Na  Na0  1  -0.0  0.83  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.38  0.41  0.8  1.0
  Al  Al3  1  0.38  0.41  0.2  1.0

Na Be Al Al