data_BaNa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa3
_chemical_formula_sum   'Ba1 Na3'
_cell_volume   181.15
_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  0.29  0.0  0.0  1.0
  Na  Na1  1  0.15  0.56  0.17  1.0
  Na  Na2  1  0.15  0.44  0.17  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0

data_BaNa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   97.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa3
_chemical_formula_sum   'Ba1 Na3'
_cell_volume   181.15
_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  0.29  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.17  0.15  0.56  1.0
  Na  Na3  1  0.17  0.15  0.44  1.0

Ba Na Na Na