data_Li2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgO4
_chemical_formula_sum   'Li4 Hg2 O8'
_cell_volume   153.72
_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  Li2  1  0.19  0.19  0.31  1.0
  Li  Li3  1  0.31  0.31  0.31  1.0
  Li  Li4  1  0.19  0.31  0.19  1.0
  Li  Li5  1  0.31  0.19  0.19  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.13  0.13  0.13  1.0
  O  O6  1  0.33  0.18  0.18  1.0
  O  O7  1  0.33  0.33  0.33  1.0
  O  O8  1  0.18  0.33  0.18  1.0
  O  O9  1  0.45  0.45  0.3  1.0
  O  O10  1  0.18  0.18  0.33  1.0
  O  O11  1  0.45  0.3  0.45  1.0
  O  O12  1  0.3  0.45  0.45  1.0
  O  O13  1  0.3  0.3  0.3  1.0

data_Li2HgO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   14.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li2HgO4
_chemical_formula_sum   'Li12 Hg6 O24'
_cell_volume   461.15
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.04  0.08  0.77  1.0
  Li  Li1  3  0.0  0.0  0.69  1.0
  Hg  Hg2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.87  1.0
  O  O4  9  0.05  0.1  0.77  1.0
  O  O5  9  0.1  0.05  0.6  1.0
  O  O6  3  0.0  0.0  0.67  1.0
  O  O7  3  0.0  0.0  0.7  1.0

Li Li Li Li Hg Hg O O O O O O O O