data_[K2In2Hg1I6]
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 [P-1]
_cell_length_a [6.8701]
_cell_length_b [8.7853]
_cell_length_c [11.0778]
_cell_angle_alpha [99.6709]
_cell_angle_beta [103.6299]
_cell_angle_gamma [111.4379]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2In2HgI6]
_chemical_formula_sum '[K2 In2 Hg1 I6]'
_cell_volume [580.4669]
_cell_formula_units_Z [1]
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  2  0.2038  0.8482  0.1314  1.0
  In  In1  2  0.1132  0.3113  0.3266  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  I  I3  2  0.2219  0.0105  0.8510  1.0
  I  I4  2  0.2777  0.4655  0.1419  1.0
  I  I5  2  0.4308  0.1890  0.4281  1.0
]