data_[H14C4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2046]
_cell_length_b [10.0039]
_cell_length_c [5.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H7(CCl)2]
_chemical_formula_sum '[H14 C4 Cl4]'
_cell_volume [262.0955]
_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
[
  H  H0  8  0.2254  0.4070  0.8863  1
  H  H1  4  0.2276  0.5000  0.2083  1
  H  H2  2  0.0000  0.0000  0.0000  1
  C  C3  4  0.2388  0.0000  0.0048  1
  Cl  Cl4  4  0.0000  0.2501  0.5000  1
]