data_[K3Li2Hg1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8712]
_cell_length_b [5.8712]
_cell_length_c [7.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Li2HgF9]
_chemical_formula_sum '[K3 Li2 Hg1 F9]'
_cell_volume [220.7221]
_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  0.3333  0.6667  0.2931  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.3333  0.6667  0.8736  1.0
  Hg  Hg3  1  0.0000  0.0000  0.5000  1.0
  F  F4  6  0.1693  0.3386  0.6729  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]