data_[K3Br6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4669]
_cell_length_b [6.4669]
_cell_length_c [20.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K(BrO3)2]
_chemical_formula_sum '[K3 Br6 O18]'
_cell_volume [749.9915]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3331  1
  Br  Br1  3  0.0000  0.0000  0.5927  1
  Br  Br2  3  0.0000  0.0000  0.7403  1
  O  O3  9  0.1909  0.3817  0.2356  1
  O  O4  9  0.1910  0.3820  0.4309  1
]