data_Na2AlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   160.41
_cell_angle_beta   155.93
_cell_angle_gamma   31.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlB
_chemical_formula_sum   'Na2 Al1 B1'
_cell_volume   80.66
_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  0.43  0.0  0.59  1.0
  Na  Na3  1  0.0  0.75  0.49  1.0
  Al  Al0  1  0.0  0.0  0.08  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Na2AlB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.5
_cell_length_c   8.39
_cell_angle_alpha   102.04
_cell_angle_beta   99.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlB
_chemical_formula_sum   'Na2 Al1 B1'
_cell_volume   80.66
_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  0.59  0.16  1.0
  Na  Na1  1  0.25  0.74  0.74  1.0
  Al  Al2  1  0.0  0.08  0.08  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Na Na Al B