data_[C2Cl2O3]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.7185]
_cell_length_b [6.6264]
_cell_length_c [17.2660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [C2Cl2O3]
_chemical_formula_sum '[C2 Cl2 O3]'
_cell_volume [654.2620]
_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
[
  C  C0  1  0.0000  0.0000  0.5488  1
  C  C1  1  0.5000  0.5000  0.4750  1
  Cl  Cl2  2  0.5000  0.2822  0.4175  1
  O  O3  2  0.0000  0.1775  0.5486  1
  O  O4  1  0.5000  0.5000  0.5439  1
]