data_[K12Zn4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.3746]
_cell_length_b [17.2194]
_cell_length_c [5.7986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K3ZnCl6]
_chemical_formula_sum '[K12 Zn4 Cl24]'
_cell_volume [1335.4361]
_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  0.1845  0.1212  0.9753  1.0
  K  K1  4  0.0000  0.3818  0.9519  1.0
  Zn  Zn2  4  0.0000  0.2058  0.5405  1.0
  Cl  Cl3  8  0.1427  0.2695  0.6575  1.0
  Cl  Cl4  8  0.1621  0.4979  0.2168  1.0
  Cl  Cl5  4  0.0000  0.0780  0.6446  1.0
  Cl  Cl6  4  0.0000  0.2125  0.1493  1.0
]