data_[K2Hg1Cl1F6]
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
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5261]
_cell_length_b [6.5322]
_cell_length_c [6.6936]
_cell_angle_alpha [112.3198]
_cell_angle_beta [113.1815]
_cell_angle_gamma [101.8889]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2HgClF6]
_chemical_formula_sum '[K2 Hg1 Cl1 F6]'
_cell_volume [220.4335]
_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  0.2137  0.7857  0.5021  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.0701  0.3140  0.3122  1.0
  F  F4  2  0.2133  0.2092  0.8210  1.0
  F  F5  2  0.3058  0.9706  0.2333  1.0
]