data_[K1Li1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7700]
_cell_length_b [5.2687]
_cell_length_c [7.8246]
_cell_angle_alpha [85.2146]
_cell_angle_beta [88.6950]
_cell_angle_gamma [84.9915]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLiHg2F8]
_chemical_formula_sum '[K1 Li1 Hg2 F8]'
_cell_volume [195.1869]
_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  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4793  0.4949  0.7743  1.0
  F  F3  2  0.1356  0.7651  0.8031  1.0
  F  F4  2  0.1598  0.7623  0.2240  1.0
  F  F5  2  0.3360  0.2591  0.9829  1.0
  F  F6  2  0.4174  0.2793  0.4476  1.0
]