data_Na3Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Cl2
_chemical_formula_sum   'Na6 Cl4'
_cell_volume   242.58
_cell_formula_units_Z   2
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  0.12  0.68  0.0  1.0
  Na  Na1  1  0.98  0.41  0.0  1.0
  Na  Na2  1  0.41  0.12  0.0  1.0
  Na  Na3  1  0.68  0.98  0.0  1.0
  Na  Na4  1  0.0  0.0  0.0  1.0
  Na  Na5  1  0.05  0.05  0.85  1.0
  Cl  Cl6  1  0.41  0.77  0.85  1.0
  Cl  Cl7  1  0.68  0.32  0.85  1.0
  Cl  Cl8  1  0.32  0.41  0.85  1.0
  Cl  Cl9  1  0.77  0.68  0.85  1.0

data_Na3Cl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Cl2
_chemical_formula_sum   'Na6 Cl4'
_cell_volume   242.58
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Na  Na1  1  0.0  0.12  0.68  1.0
  Na  Na2  1  0.0  0.41  0.12  1.0
  Na  Na3  1  0.0  0.68  0.98  1.0
  Na  Na4  1  0.0  0.98  0.41  1.0
  Na  Na5  1  0.85  0.05  0.05  1.0
  Cl  Cl6  1  0.85  0.32  0.41  1.0
  Cl  Cl7  1  0.85  0.41  0.77  1.0
  Cl  Cl8  1  0.85  0.68  0.32  1.0
  Cl  Cl9  1  0.85  0.77  0.68  1.0

Na Na Na Na Na Na Cl Cl Cl Cl
Na Na Na Na Na Na Cl Cl Cl Cl 0 9 - o - 0 1 - o o 0 5 o + - 0 4 o + o 0 8 o o - 0 6 o o - 1 7 o o - 1 9 o o - 1 5 + o - 1 8 + o - 2 5 o o - 2 8 o o - 2 6 o - - 2 3 o - o 2 7 o o - 3 6 o o - 3 7 o + - 3 9 o o - 3 5 + + - 3 4 + + o 4 5 o o - 4 9 - - - 6 8 o o o 6 9 o o o 7 8 o o o 7 9 o o o 