data_[K1U2Hg1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.7671]
_cell_length_b [7.7671]
_cell_length_c [7.7218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KU2HgCl8]
_chemical_formula_sum '[K1 U2 Hg1 Cl8]'
_cell_volume [403.4323]
_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  1  0.0000  0.0000  0.5000  1
  U  U1  2  0.3333  0.6667  0.9250  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  6  0.0517  0.4116  0.1672  1
  Cl  Cl4  2  0.3333  0.6667  0.5899  1
]