data_[K8Na4Cu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.1941]
_cell_length_b [10.2017]
_cell_length_c [12.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2NaCuI4]
_chemical_formula_sum '[K8 Na4 Cu4 I16]'
_cell_volume [1316.7463]
_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  0.0000  0.0000  1.0
  K  K1  4  0.2500  0.2500  0.2500  1.0
  Na  Na2  4  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  4  0.2500  0.2500  0.7500  1.0
  I  I4  8  0.0000  0.0229  0.2637  1.0
  I  I5  8  0.2435  0.2500  0.5535  1.0
]