data_Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   127.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cl2
_chemical_formula_sum   Cl2
_cell_volume   49.35
_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
  Cl  Cl0  1  0.0  0.61  0.9  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Cl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.62
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   78.85
_cell_angle_beta   63.91
_cell_angle_gamma   63.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cl2
_chemical_formula_sum   Cl2
_cell_volume   49.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.35  0.45  0.19  1.0

Cl Cl