data_[K8Hg8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [23.2279]
_cell_length_b [8.7425]
_cell_length_c [8.4214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2Hg2I5]
_chemical_formula_sum '[K8 Hg8 I20]'
_cell_volume [1710.1366]
_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  0.1016  0.5236  0.0167  1.0
  Hg  Hg1  4  0.0000  0.0000  0.9983  1.0
  Hg  Hg2  4  0.2500  0.0627  0.0333  1.0
  I  I3  8  0.0112  0.2458  0.2514  1.0
  I  I4  8  0.1457  0.5803  0.4404  1.0
  I  I5  4  0.2500  0.1206  0.3868  1.0
]