data_[C2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2829]
_cell_length_b [6.5837]
_cell_length_c [18.5918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.3195]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CCl2]
_chemical_formula_sum '[C2 Cl4]'
_cell_volume [505.6180]
_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
[
  C  C0  2  0.4411  0.4797  0.4662  1
  Cl  Cl1  2  0.2477  0.2309  0.4381  1
  Cl  Cl2  2  0.4759  0.6747  0.4034  1
]