data_[Li12Hg4O16]
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]
_cell_length_a [5.2335]
_cell_length_b [12.2118]
_cell_length_c [5.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li3HgO4]
_chemical_formula_sum '[Li12 Hg4 O16]'
_cell_volume [320.0935]
_cell_formula_units_Z [4]
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  1  0.0000  0.1363  0.5000  1
  Li  Li1  1  0.0000  0.3816  0.5000  1
  Li  Li2  1  0.0000  0.4963  0.0000  1
  Li  Li3  1  0.0000  0.6104  0.5000  1
  Li  Li4  1  0.5000  0.0207  0.5000  1
  Li  Li5  1  0.5000  0.1439  0.0000  1
  Li  Li6  1  0.5000  0.2673  0.5000  1
  Li  Li7  1  0.5000  0.3832  0.0000  1
  Li  Li8  1  0.5000  0.4997  0.5000  1
  Li  Li9  1  0.5000  0.6016  0.0000  1
  Li  Li10  1  0.5000  0.7236  0.5000  1
  Li  Li11  1  0.5000  0.8734  0.0000  1
  Hg  Hg12  1  0.0000  0.0032  0.0000  1
  Hg  Hg13  1  0.0000  0.2603  0.0000  1
  Hg  Hg14  1  0.0000  0.7323  0.0000  1
  Hg  Hg15  1  0.0000  0.8761  0.5000  1
  O  O16  2  0.2327  0.2553  0.7638  1
  O  O17  2  0.2507  0.3767  0.2437  1
  O  O18  2  0.2570  0.7527  0.7132  1
  O  O19  2  0.2572  0.6149  0.2306  1
  O  O20  2  0.2605  0.1384  0.2464  1
  O  O21  2  0.2611  0.4993  0.7314  1
  O  O22  2  0.2637  0.9984  0.7125  1
  O  O23  2  0.2679  0.8594  0.2039  1
]