data_[Li2Hg4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2018]
_cell_length_b [5.9278]
_cell_length_c [9.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiHg2F6]
_chemical_formula_sum '[Li2 Hg4 F12]'
_cell_volume [255.6972]
_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  0.5000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2482  0.0944  0.7847  1.0
  F  F2  4  0.1246  0.1692  0.4150  1.0
  F  F3  4  0.2497  0.7084  0.4184  1.0
  F  F4  4  0.4488  0.0801  0.2738  1.0
]