data_[K1Hg1Au1F6]
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
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2618]
_cell_length_b [5.7519]
_cell_length_c [6.2726]
_cell_angle_alpha [96.3151]
_cell_angle_beta [98.2759]
_cell_angle_gamma [104.5779]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHgAuF6]
_chemical_formula_sum '[K1 Hg1 Au1 F6]'
_cell_volume [179.6847]
_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  1  0.9468  0.0204  0.9912  1.0
  Hg  Hg1  1  0.2319  0.7728  0.5008  1.0
  Au  Au2  1  0.6810  0.3219  0.5009  1.0
  F  F3  1  0.0196  0.6315  0.1990  1.0
  F  F4  1  0.0221  0.3414  0.6875  1.0
  F  F5  1  0.3373  0.3010  0.3189  1.0
  F  F6  1  0.3960  0.9645  0.8030  1.0
  F  F7  1  0.6819  0.0061  0.3439  1.0
  F  F8  1  0.6837  0.6404  0.6547  1.0
]