data_[Li2Hg4H2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.8448]
_cell_length_b [6.0738]
_cell_length_c [9.5625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [LiHg2HF6]
_chemical_formula_sum '[Li2 Hg4 H2 F12]'
_cell_volume [281.3944]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg1  4  0.0000  0.0000  0.2018  1.0
  H  H2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.1802  0.3335  0.1514  1.0
  F  F4  4  0.1966  0.3909  0.5000  1.0
]