data_[K2H2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8927]
_cell_length_b [6.5821]
_cell_length_c [8.3741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHCl3]
_chemical_formula_sum '[K2 H2 Cl6]'
_cell_volume [264.3302]
_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
[
  K  K0  2  0.2544  0.2500  0.3452  1
  H  H1  2  0.2997  0.2500  0.8548  1
  Cl  Cl2  4  0.2915  0.0146  0.8534  1
  Cl  Cl3  2  0.1607  0.7500  0.4101  1
]