data_[K4Cd4Cu8Br24]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2158]
_cell_length_b [13.1598]
_cell_length_c [8.0523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCd(CuBr3)2]
_chemical_formula_sum '[K4 Cd4 Cu8 Br24]'
_cell_volume [1385.1740]
_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  0.1417  0.2500  1.0
  Cd  Cd1  4  0.0000  0.2020  0.7500  1.0
  Cu  Cu2  8  0.1920  0.4462  0.1905  1.0
  Br  Br3  8  0.1201  0.0661  0.6699  1.0
  Br  Br4  8  0.1235  0.2727  0.0588  1.0
  Br  Br5  8  0.1440  0.4376  0.4446  1.0
]