data_[H3Cl4]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [6.3079]
_cell_length_b [21.8679]
_cell_length_c [3.4289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [H3Cl4]
_chemical_formula_sum '[H3 Cl4]'
_cell_volume [472.9865]
_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
[
  H  H0  2  0.0000  0.4035  0.6473  1
  H  H1  1  0.5000  0.5000  0.8077  1
  Cl  Cl2  2  0.0000  0.3430  0.6259  1
  Cl  Cl3  1  0.0000  0.5000  0.6845  1
  Cl  Cl4  1  0.5000  0.5000  0.1837  1
]