data_[K9Rb3Zn12I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [16.6220]
_cell_length_b [16.6220]
_cell_length_c [14.2507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [K3Rb(ZnI3)4]
_chemical_formula_sum '[K9 Rb3 Zn12 I36]'
_cell_volume [3409.8404]
_cell_formula_units_Z [3]
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  9  0.0000  0.5358  0.0000  1.0
  Rb  Rb1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  9  0.0000  0.4524  0.5000  1.0
  Zn  Zn3  3  0.0000  0.0000  0.5000  1.0
  I  I4  18  0.0312  0.2073  0.1585  1.0
  I  I5  9  0.0000  0.6065  0.5000  1.0
  I  I6  9  0.0000  0.8466  0.5000  1.0
]