data_[K4Hg8I16]
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 [Imma]
_cell_length_a [9.6332]
_cell_length_b [9.8456]
_cell_length_c [13.1317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K(HgI2)2]
_chemical_formula_sum '[K4 Hg8 I16]'
_cell_volume [1245.4689]
_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  4  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.0000  0.2500  0.8678  1.0
  Hg  Hg2  4  0.2500  0.2500  0.2500  1.0
  I  I3  8  0.0000  0.0104  0.2343  1.0
  I  I4  8  0.2359  0.2500  0.0161  1.0
]