data_LiHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   121.0
_cell_angle_beta   121.0
_cell_angle_gamma   88.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgCl2
_chemical_formula_sum   'Li1 Hg1 Cl2'
_cell_volume   90.3
_cell_formula_units_Z   1
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  Li3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.63  1.0
  Cl  Cl0  1  0.49  0.0  0.82  1.0
  Cl  Cl1  1  0.0  0.49  0.82  1.0

data_LiHgCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   134.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHgCl2
_chemical_formula_sum   'Li2 Hg2 Cl4'
_cell_volume   180.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.37  0.0  0.37  1.0
  Cl  Cl2  4  0.43  0.25  0.68  1.0

Li Hg Cl Cl
Li Hg Cl Cl 0 2 - o - 0 3 o - - 0 1 o o - 1 3 o o o 1 2 o o o 