data_NaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   7.77
_cell_angle_alpha   91.93
_cell_angle_beta   91.93
_cell_angle_gamma   29.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2
_chemical_formula_sum   'Na2 Al4'
_cell_volume   130.15
_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
  Na  Na4  1  0.99  0.0  0.69  1.0
  Na  Na5  1  0.58  0.0  0.51  1.0
  Al  Al0  1  0.63  0.0  0.19  1.0
  Al  Al1  1  0.56  0.0  0.32  1.0
  Al  Al2  1  0.04  0.0  0.32  1.0
  Al  Al3  1  0.63  0.0  0.56  1.0

data_NaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.84
_cell_length_c   7.77
_cell_angle_alpha   91.93
_cell_angle_beta   90.0
_cell_angle_gamma   104.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2
_chemical_formula_sum   'Na2 Al4'
_cell_volume   130.15
_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
  Na  Na0  1  0.0  0.01  0.31  1.0
  Na  Na1  1  0.0  0.42  0.49  1.0
  Al  Al2  1  0.0  0.37  0.81  1.0
  Al  Al3  1  0.0  0.37  0.44  1.0
  Al  Al4  1  0.0  0.44  0.68  1.0
  Al  Al5  1  0.0  0.96  0.68  1.0

Na Na Al Al Al Al