data_NaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCl2
_chemical_formula_sum   'Na2 Cl4'
_cell_volume   167.66
_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  Na4  1  0.0  0.0  0.0  1.0
  Na  Na5  1  0.18  0.18  0.08  1.0
  Cl  Cl0  1  0.9  0.9  0.0  1.0
  Cl  Cl1  1  0.46  0.46  0.0  1.0
  Cl  Cl2  1  0.08  0.28  0.08  1.0
  Cl  Cl3  1  0.28  0.08  0.08  1.0

data_NaCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCl2
_chemical_formula_sum   'Na4 Cl8'
_cell_volume   335.32
_cell_formula_units_Z   4
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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Na  Na1  2  0.18  0.0  0.08  1.0
  Cl  Cl2  4  0.18  0.1  0.08  1.0
  Cl  Cl3  2  0.4  0.5  0.0  1.0
  Cl  Cl4  2  0.46  0.0  0.0  1.0

Na Na Cl Cl Cl Cl
Na Na Cl Cl Cl Cl 0 2 - - o 1 4 o o o 1 5 o o o 1 3 o o o 3 5 o o o 3 4 o o o 