data_Na2NbAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbAl
_chemical_formula_sum   'Na2 Nb1 Al1'
_cell_volume   85.27
_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  Na1  1  0.4  0.83  0.34  1.0
  Na  Na2  1  0.4  0.17  0.34  1.0
  Nb  Nb3  1  0.81  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Na2NbAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.61
_cell_length_c   6.31
_cell_angle_alpha   116.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbAl
_chemical_formula_sum   'Na2 Nb1 Al1'
_cell_volume   85.27
_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  0.34  0.17  0.58  1.0
  Na  Na1  1  0.34  0.83  0.23  1.0
  Nb  Nb2  1  -0.0  0.0  0.81  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Na Na Nb Al