data_[K6Ac6I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5352]
_cell_length_b [7.4454]
_cell_length_c [7.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ac3IO8]
_chemical_formula_sum '[K6 Ac6 I2 O16]'
_cell_volume [640.0644]
_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  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Ac  Ac2  4  0.2500  0.2500  0.5000  1
  Ac  Ac3  2  0.0000  0.5000  0.5000  1
  I  I4  2  0.0000  0.0000  0.5000  1
  O  O5  8  0.0232  0.2121  0.3320  1
  O  O6  4  0.2185  0.5000  0.6911  1
  O  O7  4  0.2392  0.5000  0.2780  1
]