data_[K6Hg3Sb3I18]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5089]
_cell_length_b [8.5089]
_cell_length_c [21.7877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2HgSbI6]
_chemical_formula_sum '[K6 Hg3 Sb3 I18]'
_cell_volume [1366.1094]
_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  3  0.0000  0.0000  0.0289  1.0
  K  K1  3  0.0000  0.0000  0.5337  1.0
  Hg  Hg2  3  0.0000  0.0000  0.8206  1.0
  Sb  Sb3  3  0.0000  0.0000  0.3230  1.0
  I  I4  9  0.0137  0.5942  0.0735  1.0
  I  I5  9  0.0860  0.3418  0.9100  1.0
]