data_Ag2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   23.25
_cell_angle_beta   23.25
_cell_angle_gamma   23.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgCl
_chemical_formula_sum   'Ag2 Hg1 Cl1'
_cell_volume   85.12
_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
  Ag  Ag0  1  0.0  0.0  0.32  1.0
  Ag  Ag1  1  0.0  0.0  0.58  1.0
  Hg  Hg3  1  0.0  0.0  0.45  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ag2HgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2HgCl
_chemical_formula_sum   'Ag4 Hg2 Cl2'
_cell_volume   170.25
_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
  Ag  Ag0  2  0.0  0.0  0.68  1.0
  Ag  Ag1  2  0.0  0.0  0.42  1.0
  Hg  Hg2  2  0.0  0.0  0.55  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ag Ag Hg Cl
Ag Ag Hg Cl 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o + 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 