data_[K9B18Br3O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.2157]
_cell_length_b [10.2157]
_cell_length_c [9.0539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K3B6BrO10]
_chemical_formula_sum '[K9 B18 Br3 O30]'
_cell_volume [818.2850]
_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  9  0.1793  0.3586  0.8902  1.0
  B  B1  9  0.0875  0.1749  0.5531  1.0
  B  B2  9  0.1842  0.3683  0.3366  1.0
  Br  Br3  3  0.0000  0.0000  0.0125  1.0
  O  O4  18  0.0008  0.2329  0.6323  1.0
  O  O5  9  0.1075  0.5537  0.0662  1.0
  O  O6  3  0.0000  0.0000  0.5566  1.0
]