data_[K12Zn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [14.7995]
_cell_length_b [19.3036]
_cell_length_c [6.8837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K3ZnI6]
_chemical_formula_sum '[K12 Zn4 I24]'
_cell_volume [1966.5519]
_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  8  0.1828  0.1190  0.9649  1.0
  K  K1  4  0.0000  0.3792  0.9406  1.0
  Zn  Zn2  4  0.0000  0.2045  0.5453  1.0
  I  I3  8  0.1483  0.2683  0.6706  1.0
  I  I4  8  0.1616  0.4970  0.2058  1.0
  I  I5  4  0.0000  0.0729  0.6514  1.0
  I  I6  4  0.0000  0.2120  0.1655  1.0
]