data_[K12H4Br2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3635]
_cell_length_b [4.4514]
_cell_length_c [8.9382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6H2BrCl3]
_chemical_formula_sum '[K12 H4 Br2 Cl6]'
_cell_volume [749.5389]
_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  0.0067  0.0000  0.2642  1.0
  K  K1  4  0.1712  0.5000  0.0980  1.0
  K  K2  4  0.1725  0.5000  0.5729  1.0
  H  H3  4  0.1709  0.0000  0.3414  1.0
  Br  Br4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1650  0.0000  0.8294  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]