data_[K4Ba2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [6.5002]
_cell_length_b [6.7276]
_cell_length_c [11.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaHgF6]
_chemical_formula_sum '[K4 Ba2 Hg2 F12]'
_cell_volume [406.6918]
_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  0.2274  0.0549  0.2478  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1150  0.2134  0.9294  1.0
  F  F4  4  0.2160  0.6923  0.9319  1.0
  F  F5  4  0.3651  0.0651  0.7362  1.0
]