data_Ba3Na
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   13.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Na
_chemical_formula_sum   'Ba3 Na1'
_cell_volume   233.26
_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  1.0  0.55  0.25  1.0
  Ba  Ba1  1  1.0  0.55  0.55  1.0
  Ba  Ba2  1  0.0  0.0  0.9  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0

data_Ba3Na
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   7.65
_cell_length_c   13.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba3Na
_chemical_formula_sum   'Ba6 Na2'
_cell_volume   466.52
_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
  Ba  Ba0  2  0.0  0.0  0.9  1.0
  Ba  Ba1  2  0.05  0.5  0.25  1.0
  Ba  Ba2  2  0.05  0.5  0.55  1.0
  Na  Na3  2  0.0  0.0  0.0  1.0

Ba Ba Ba Na
Ba Ba Ba Na 0 0 + + o 0 0 o + o 0 0 + o o 0 3 + + o 0 3 + o o 0 1 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 + + o 2 3 o o + 