data_[K8Cd4H4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4130]
_cell_length_b [18.9236]
_cell_length_c [13.3686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2CdHBr5]
_chemical_formula_sum '[K8 Cd4 H4 Br20]'
_cell_volume [1116.4043]
_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  4  0.0000  0.1280  0.6924  1.0
  K  K1  4  0.0000  0.1434  0.3396  1.0
  Cd  Cd2  4  0.0000  0.1801  0.0219  1.0
  H  H3  4  0.0000  0.4778  0.3919  1.0
  Br  Br4  4  0.0000  0.0397  0.0296  1.0
  Br  Br5  4  0.0000  0.3065  0.6652  1.0
  Br  Br6  4  0.0000  0.3152  0.3752  1.0
  Br  Br7  4  0.0000  0.3278  0.0181  1.0
  Br  Br8  4  0.0000  0.4934  0.7901  1.0
]