data_[Cs1Li1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [4.8109]
_cell_length_b [5.0088]
_cell_length_c [9.2420]
_cell_angle_alpha [93.4843]
_cell_angle_beta [90.8551]
_cell_angle_gamma [92.6315]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLiHg2F8]
_chemical_formula_sum '[Cs1 Li1 Hg2 F8]'
_cell_volume [222.0227]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4611  0.5023  0.8080  1.0
  F  F3  2  0.1347  0.2170  0.8236  1.0
  F  F4  2  0.2021  0.2231  0.2018  1.0
  F  F5  2  0.3146  0.7342  0.9883  1.0
  F  F6  2  0.4512  0.6900  0.3916  1.0
]