data_AgHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   4.95
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   111.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Cl
_chemical_formula_sum   'Ag1 Hg2 Cl1'
_cell_volume   122.44
_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  0.53  0.0  0.0  1.0
  Hg  Hg2  1  0.28  0.47  0.28  1.0
  Hg  Hg3  1  0.88  0.47  0.62  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_AgHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   5.05
_cell_length_c   5.25
_cell_angle_alpha   111.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Cl
_chemical_formula_sum   'Ag1 Hg2 Cl1'
_cell_volume   122.44
_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  0.47  -0.0  1.0
  Hg  Hg1  1  0.53  0.12  0.38  1.0
  Hg  Hg2  1  0.53  0.72  0.72  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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