data_[Li6Hg2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.2196]
_cell_length_b [5.9751]
_cell_length_c [5.4204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3HgO4]
_chemical_formula_sum '[Li6 Hg2 O8]'
_cell_volume [156.5866]
_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  0.3781  0.7500  1
  Li  Li1  2  0.5000  0.1440  0.7500  1
  Li  Li2  2  0.5000  0.3976  0.2500  1
  Hg  Hg3  2  0.0000  0.1416  0.2500  1
  O  O4  4  0.2561  0.1080  0.9794  1
  O  O5  4  0.2576  0.3804  0.4809  1
]