data_ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ClO
_chemical_formula_sum   'Cl2 O2'
_cell_volume   70.63
_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
  Cl  Cl0  1  0.7  0.98  0.08  1.0
  Cl  Cl1  1  0.0  0.96  0.54  1.0
  O  O2  1  0.7  0.98  0.65  1.0
  O  O3  1  0.0  0.96  0.11  1.0

data_ClO
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ClO
_chemical_formula_sum   'Cl2 O2'
_cell_volume   70.63
_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
  Cl  Cl0  1  0.0  0.96  0.54  1.0
  Cl  Cl1  1  0.7  0.98  0.08  1.0
  O  O2  1  0.0  0.96  0.11  1.0
  O  O3  1  0.7  0.98  0.65  1.0

Cl Cl O O
Cl Cl O O 0 3 + o o 1 2 - o o 