data_NaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   7.31
_cell_angle_alpha   103.02
_cell_angle_beta   103.02
_cell_angle_gamma   26.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl
_chemical_formula_sum   'Na3 Al3'
_cell_volume   132.95
_cell_formula_units_Z   3
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  0.93  0.0  0.32  1.0
  Na  Na4  1  0.64  0.0  0.38  1.0
  Na  Na5  1  0.49  0.0  0.76  1.0
  Al  Al0  1  0.62  0.0  0.07  1.0
  Al  Al1  1  0.21  0.0  0.74  1.0
  Al  Al2  1  0.56  0.0  0.99  1.0

data_NaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   6.48
_cell_length_c   7.31
_cell_angle_alpha   103.02
_cell_angle_beta   90.0
_cell_angle_gamma   103.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl
_chemical_formula_sum   'Na3 Al3'
_cell_volume   132.95
_cell_formula_units_Z   3
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  0.07  0.68  1.0
  Na  Na1  1  0.0  0.36  0.62  1.0
  Na  Na2  1  0.0  0.51  0.24  1.0
  Al  Al3  1  0.0  0.38  0.93  1.0
  Al  Al4  1  0.0  0.44  0.01  1.0
  Al  Al5  1  0.0  0.79  0.26  1.0

Na Na Na Al Al Al