data_[K2Hg4F12]
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 [C2/m]
_cell_length_a [11.7594]
_cell_length_b [4.5095]
_cell_length_c [8.1807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KHg2F6]
_chemical_formula_sum '[K2 Hg4 F12]'
_cell_volume [371.8686]
_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  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.1801  0.0000  0.1105  1.0
  F  F2  4  0.0116  0.0000  0.8352  1.0
  F  F3  4  0.1549  0.5000  0.6184  1.0
  F  F4  4  0.2023  0.5000  0.0993  1.0
]