data_[K4Cu8I16]
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/c]
_cell_length_a [10.9145]
_cell_length_b [10.9731]
_cell_length_c [9.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(CuI2)2]
_chemical_formula_sum '[K4 Cu8 I16]'
_cell_volume [1181.0977]
_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  0.4996  0.2500  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.2500  0.2500  0.5000  1
  I  I3  8  0.0075  0.2449  0.4988  1
  I  I4  8  0.2442  0.0072  0.4911  1
]