data_[K4I2O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7881]
_cell_length_b [7.9768]
_cell_length_c [9.2554]
_cell_angle_alpha [99.9612]
_cell_angle_beta [94.9547]
_cell_angle_gamma [118.2817]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2IO9]
_chemical_formula_sum '[K4 I2 O18]'
_cell_volume [489.2278]
_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  0.2923  0.5421  0.0705  1
  K  K1  2  0.3859  0.2110  0.3258  1
  I  I2  2  0.1951  0.9343  0.8706  1
  O  O3  2  0.0088  0.8806  0.7147  1
  O  O4  2  0.0683  0.6387  0.3719  1
  O  O5  2  0.1113  0.7251  0.9509  1
  O  O6  2  0.1926  0.8131  0.4258  1
  O  O7  2  0.2438  0.1457  0.0118  1
  O  O8  2  0.3512  0.3370  0.6772  1
  O  O9  2  0.3752  0.4808  0.7949  1
  O  O10  2  0.4258  0.9872  0.8115  1
  O  O11  2  0.4751  0.6216  0.3725  1
]