data_[H4Cl4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.4078]
_cell_length_b [6.3865]
_cell_length_c [8.6227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HClO3]
_chemical_formula_sum '[H4 Cl4 O12]'
_cell_volume [297.8017]
_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  4  0.2015  0.2837  0.1639  1.0
  Cl  Cl1  4  0.1584  0.9454  0.1267  1.0
  O  O2  4  0.0566  0.4954  0.2738  1.0
  O  O3  4  0.0865  0.8872  0.9704  1.0
  O  O4  4  0.2007  0.8194  0.6017  1.0
]