data_[K2Hg1Pb1F6]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.5860]
_cell_length_b [6.5860]
_cell_length_c [4.8471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2HgPbF6]
_chemical_formula_sum '[K2 Hg1 Pb1 F6]'
_cell_volume [210.2477]
_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  0.0000  0.5000  0.0309  1.0
  Hg  Hg1  1  0.0000  0.0000  0.6414  1.0
  Pb  Pb2  1  0.5000  0.5000  0.6190  1.0
  F  F3  4  0.2458  0.2458  0.7131  1.0
  F  F4  1  0.0000  0.0000  0.1653  1.0
  F  F5  1  0.5000  0.5000  0.1069  1.0
]