data_[K4Br4O12]
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 [Pc]
_cell_length_a [5.8466]
_cell_length_b [8.8354]
_cell_length_c [9.9994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [KBrO3]
_chemical_formula_sum '[K4 Br4 O12]'
_cell_volume [430.7186]
_cell_formula_units_Z [4]
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  0.2307  0.0124  0.4803  1
  K  K1  2  0.2926  0.4822  0.0411  1
  Br  Br2  2  0.6442  0.2220  0.8838  1
  Br  Br3  2  0.8939  0.2664  0.6237  1
  O  O4  2  0.0929  0.2532  0.8355  1
  O  O5  2  0.1176  0.1970  0.2062  1
  O  O6  2  0.1878  0.3286  0.2706  1
  O  O7  2  0.4439  0.2453  0.6720  1
  O  O8  2  0.7686  0.1871  0.2105  1
  O  O9  2  0.8181  0.3191  0.2746  1
]