data_NaNb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.37
_cell_angle_alpha   103.5
_cell_angle_beta   103.5
_cell_angle_gamma   26.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Al
_chemical_formula_sum   'Na1 Nb2 Al1'
_cell_volume   77.65
_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  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.34  0.0  0.42  1.0
  Nb  Nb3  1  0.54  0.0  0.79  1.0
  Al  Al0  1  0.94  0.0  0.61  1.0

data_NaNb2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   5.37
_cell_length_c   5.74
_cell_angle_alpha   103.5
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Al
_chemical_formula_sum   'Na1 Nb2 Al1'
_cell_volume   77.65
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.42  0.34  1.0
  Nb  Nb2  1  0.0  0.79  0.54  1.0
  Al  Al3  1  0.0  0.61  0.94  1.0

Na Nb Nb Al