data_[H12N2Cl2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.3516]
_cell_length_b [4.1935]
_cell_length_c [11.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [H6NClF2]
_chemical_formula_sum '[H12 N2 Cl2 F4]'
_cell_volume [200.7759]
_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  4  0.0257  0.1885  0.2488  1
  H  H1  4  0.1777  0.1811  0.5021  1
  H  H2  4  0.1781  0.6809  0.0027  1
  N  N3  2  0.0000  0.0000  0.5000  1
  Cl  Cl4  2  0.5000  0.0000  0.0000  1
  F  F5  4  0.1353  0.5161  0.7406  1
]