data_[K3H2I3]
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 [P-1]
_cell_length_a [5.0594]
_cell_length_b [5.0673]
_cell_length_c [12.8835]
_cell_angle_alpha [81.2642]
_cell_angle_beta [82.2359]
_cell_angle_gamma [89.7355]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3H2I3]
_chemical_formula_sum '[K3 H2 I3]'
_cell_volume [323.4335]
_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
[
  K  K0  2  0.0958  0.1091  0.7166  1.0
  K  K1  1  0.5000  0.5000  0.0000  1.0
  H  H2  2  0.0505  0.0482  0.4825  1.0
  I  I3  2  0.4058  0.3924  0.2888  1.0
  I  I4  1  0.0000  0.0000  0.0000  1.0
]