data_[K9In9Hg3I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  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 [10.0255]
_cell_length_b [10.0255]
_cell_length_c [24.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3In3HgI8]
_chemical_formula_sum '[K9 In9 Hg3 I24]'
_cell_volume [2132.7587]
_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
  In  In1  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0429  0.5214  0.7407  1.0
  I  I4  6  0.0000  0.0000  0.2495  1.0
]