data_BaNaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   4.11
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaAl2
_chemical_formula_sum   'Ba1 Na1 Al2'
_cell_volume   116.94
_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
  Ba  Ba2  1  0.0  0.0  0.82  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.86  0.05  0.41  1.0
  Al  Al1  1  0.86  0.05  0.23  1.0

data_BaNaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.11
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaAl2
_chemical_formula_sum   'Ba1 Na1 Al2'
_cell_volume   116.94
_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
  Ba  Ba0  1  0.0  0.0  0.82  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.86  0.05  0.23  1.0
  Al  Al3  1  0.86  0.05  0.41  1.0

Ba Na Al Al