data_[H8Cl12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8862]
_cell_length_b [4.5185]
_cell_length_c [12.5421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H2Cl3F]
_chemical_formula_sum '[H8 Cl12 F4]'
_cell_volume [632.6688]
_cell_formula_units_Z [4]
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  0.1278  0.1545  0.4962  1
  Cl  Cl1  8  0.1818  0.9879  0.0990  1
  Cl  Cl2  4  0.0000  0.1601  0.2500  1
  F  F3  4  0.0000  0.2043  0.7500  1
]