data_[K4Cu6I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3548]
_cell_length_b [9.2345]
_cell_length_c [7.7779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu3I8]
_chemical_formula_sum '[K4 Cu6 I16]'
_cell_volume [1063.1100]
_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  0.2148  0.5000  0.5774  1.0
  Cu  Cu1  4  0.0000  0.3210  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.0748  0.2175  0.3107  1.0
  I  I4  4  0.1276  0.5000  0.9598  1.0
  I  I5  4  0.1555  0.0000  0.7394  1.0
]