data_[K6U3Hg3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  U  1.3800  1.7500  0.9913
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7256]
_cell_length_b [8.7256]
_cell_length_c [24.2625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2UHgI6]
_chemical_formula_sum '[K6 U3 Hg3 I18]'
_cell_volume [1599.7788]
_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  0.0068  1
  K  K1  3  0.0000  0.0000  0.4831  1
  U  U2  3  0.0000  0.0000  0.6686  1
  Hg  Hg3  3  0.0000  0.0000  0.1729  1
  I  I4  9  0.0202  0.7310  0.5950  1
  I  I5  9  0.0556  0.3769  0.4072  1
]