data_[K12Hg4F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8468]
_cell_length_b [8.7259]
_cell_length_c [13.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K6Hg2F]
_chemical_formula_sum '[K12 Hg4 F2]'
_cell_volume [779.5072]
_cell_formula_units_Z [2]
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  4  0.1652  0.6714  0.9598  1
  K  K1  4  0.2905  0.2140  0.9583  1
  K  K2  4  0.3492  0.5117  0.7637  1
  Hg  Hg3  4  0.2152  0.5900  0.2536  1
  F  F4  2  0.5000  0.0000  0.5000  1
]