data_NaNbAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   129.92
_cell_angle_beta   129.92
_cell_angle_gamma   73.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbAl2
_chemical_formula_sum   'Na1 Nb1 Al2'
_cell_volume   72.47
_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  Na2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.02  1.0
  Al  Al0  1  0.0  0.12  0.01  1.0
  Al  Al1  1  0.12  0.0  0.01  1.0

data_NaNbAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   126.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNbAl2
_chemical_formula_sum   'Na2 Nb2 Al4'
_cell_volume   144.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.48  0.5  0.98  1.0
  Al  Al2  4  0.05  0.06  0.11  1.0

Na Nb Al Al