data_[K12Y6I6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1347]
_cell_length_b [6.1347]
_cell_length_c [29.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2YIO6]
_chemical_formula_sum '[K12 Y6 I6 O36]'
_cell_volume [976.9453]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1349  1.0
  K  K1  6  0.0000  0.0000  0.2654  1.0
  Y  Y2  6  0.0000  0.0000  0.4001  1.0
  I  I3  3  -0.0000  -0.0000  0.5000  1.0
  I  I4  3  0.0000  0.0000  0.0000  1.0
  O  O5  18  0.0410  0.5205  0.7032  1.0
  O  O6  18  0.0481  0.5240  0.1278  1.0
]