data_[Li2Al2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8870]
_cell_length_b [4.8870]
_cell_length_c [9.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiAlHgF6]
_chemical_formula_sum '[Li2 Al2 Hg2 F12]'
_cell_volume [228.6842]
_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  0.0000  0.6678  1.0
  Al  Al1  2  0.0000  0.0000  0.3324  1.0
  Hg  Hg2  2  0.0000  0.0000  0.9962  1.0
  F  F3  4  0.1702  0.8298  0.4815  1.0
  F  F4  4  0.1938  0.8062  0.1998  1.0
  F  F5  4  0.2336  0.7664  0.8205  1.0
]