data_[H26C4Cl4O16F2]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.4791]
_cell_length_b [9.6510]
_cell_length_c [9.7036]
_cell_angle_alpha [61.6510]
_cell_angle_beta [64.1024]
_cell_angle_gamma [63.5830]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H13C2Cl2O8F]
_chemical_formula_sum '[H26 C4 Cl4 O16 F2]'
_cell_volume [670.4255]
_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  2  0.0354  0.1590  0.0105  1
  H  H1  2  0.0437  0.9206  0.7568  1
  H  H2  2  0.0792  0.7417  0.4031  1
  H  H3  2  0.0938  0.2828  0.8007  1
  H  H4  2  0.1104  0.9108  0.7864  1
  H  H5  2  0.1238  0.5139  0.6702  1
  H  H6  2  0.1360  0.7805  0.3242  1
  H  H7  2  0.2224  0.0903  0.8848  1
  H  H8  2  0.2277  0.3777  0.5876  1
  H  H9  2  0.2760  0.6461  0.6383  1
  H  H10  2  0.4597  0.6784  0.6872  1
  H  H11  2  0.4654  0.4965  0.3251  1
  H  H12  2  0.4890  0.1398  0.7945  1
  C  C13  2  0.3552  0.1900  0.2159  1
  C  C14  2  0.4539  0.8840  0.8191  1
  Cl  Cl15  2  0.2712  0.1140  0.4321  1
  Cl  Cl16  2  0.2923  0.4077  0.1361  1
  O  O17  2  0.0944  0.1592  0.8985  1
  O  O18  2  0.1205  0.4125  0.6626  1
  O  O19  2  0.1547  0.6628  0.6672  1
  O  O20  2  0.3762  0.8120  0.8159  1
  O  O21  2  0.3946  0.0232  0.8427  1
  O  O22  2  0.4430  0.7303  0.1554  1
  O  O23  2  0.4551  0.7656  0.2654  1
  O  O24  2  0.4843  0.6192  0.6158  1
  F  F25  2  0.2982  0.1345  0.1487  1
]