data_[K9Rb9Hg3I24]
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
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1729]
_cell_length_b [10.1729]
_cell_length_c [25.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Rb3HgI8]
_chemical_formula_sum '[K9 Rb9 Hg3 I24]'
_cell_volume [2284.9464]
_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  0.5000  0.0000  1.0
  Rb  Rb1  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0421  0.5211  0.7363  1.0
  I  I4  6  0.0000  0.0000  0.2539  1.0
]