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 [P1]
_cell_length_a [4.4475]
_cell_length_b [4.4937]
_cell_length_c [7.6549]
_cell_angle_alpha [80.6061]
_cell_angle_beta [83.0646]
_cell_angle_gamma [77.9775]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cl2]
_chemical_formula_sum '[Cl4]'
_cell_volume [147.0289]
_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  0.1448  0.8231  0.4584  1.0
  Cl  Cl1  1  0.3222  0.3200  0.9578  1.0
  Cl  Cl2  1  0.5523  0.5189  0.7412  1.0
  Cl  Cl3  1  0.9141  0.0513  0.2495  1.0
]