data_[K4H4I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9110]
_cell_length_b [5.0946]
_cell_length_c [9.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2H2I]
_chemical_formula_sum '[K4 H4 I2]'
_cell_volume [374.3515]
_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  4  0.2246  0.0000  0.7465  1
  H  H1  4  0.0411  0.5000  0.4948  1
  I  I2  2  0.0000  0.0000  0.0000  1
]