data_[K12Cd4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [14.1083]
_cell_length_b [18.2922]
_cell_length_c [6.2642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K3CdBr6]
_chemical_formula_sum '[K12 Cd4 Br24]'
_cell_volume [1616.6128]
_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  8  0.1833  0.1184  0.5368  1
  K  K1  4  0.0000  0.3828  0.5559  1
  Cd  Cd2  4  0.0000  0.2071  0.9481  1
  Br  Br3  8  0.1549  0.2753  0.8211  1
  Br  Br4  8  0.1615  0.4971  0.2936  1
  Br  Br5  4  0.0000  0.0681  0.8434  1
  Br  Br6  4  0.0000  0.2129  0.3643  1
]