data_[K2Li2Hg2F8]
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 [P2_1/m]
_cell_length_a [5.7172]
_cell_length_b [5.7282]
_cell_length_c [7.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiHgF4]
_chemical_formula_sum '[K2 Li2 Hg2 F8]'
_cell_volume [225.4802]
_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  0.2852  0.2500  0.0660  1.0
  Li  Li1  2  0.2461  0.7500  0.3233  1.0
  Hg  Hg2  2  0.2130  0.2500  0.5522  1.0
  F  F3  4  0.0115  0.5119  0.2892  1.0
  F  F4  2  0.4418  0.7500  0.1645  1.0
  F  F5  2  0.4656  0.7500  0.5703  1.0
]