data_[Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2285]
_cell_length_b [5.1695]
_cell_length_c [6.7298]
_cell_angle_alpha [88.8296]
_cell_angle_beta [83.2197]
_cell_angle_gamma [81.1484]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cl2]
_chemical_formula_sum '[Cl4]'
_cell_volume [144.3384]
_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  2  0.1116  0.3964  0.1071  1.0
  Cl  Cl1  2  0.3879  0.8938  0.6056  1.0
]