data_[K4Cu8Pd4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9753]
_cell_length_b [12.4046]
_cell_length_c [8.5272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCu2PdI6]
_chemical_formula_sum '[K4 Cu8 Pd4 I24]'
_cell_volume [1553.4427]
_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  0.0588  0.2500  1.0
  Cu  Cu1  8  0.2105  0.4057  0.1575  1.0
  Pd  Pd2  4  0.0000  0.2076  0.7500  1.0
  I  I3  8  0.1205  0.2183  0.0680  1.0
  I  I4  8  0.1320  0.1726  0.6399  1.0
  I  I5  8  0.1573  0.4700  0.3991  1.0
]