data_[Cs4K4Hg8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4419]
_cell_length_b [18.3114]
_cell_length_c [11.4542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(HgI3)2]
_chemical_formula_sum '[Cs4 K4 Hg8 I24]'
_cell_volume [2196.1906]
_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
[
  Cs  Cs0  4  0.0000  0.1990  0.2500  1.0
  K  K1  4  0.0000  0.3461  0.7500  1.0
  Hg  Hg2  8  0.2048  0.4228  0.2730  1.0
  I  I3  8  0.0177  0.3918  0.4430  1.0
  I  I4  8  0.1492  0.2029  0.6339  1.0
  I  I5  8  0.2038  0.0581  0.1318  1.0
]