data_AgHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   139.78
_cell_angle_beta   103.82
_cell_angle_gamma   89.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgCl2
_chemical_formula_sum   'Ag1 Hg1 Cl2'
_cell_volume   107.32
_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  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.99  1.0
  Cl  Cl1  1  0.94  0.0  0.73  1.0
  Cl  Cl2  1  0.0  0.47  0.26  1.0

data_AgHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   76.18
_cell_angle_beta   69.89
_cell_angle_gamma   69.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgCl2
_chemical_formula_sum   'Ag1 Hg1 Cl2'
_cell_volume   107.32
_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  0.0  1.0
  Hg  Hg1  1  0.99  0.0  0.01  1.0
  Cl  Cl2  1  0.26  0.0  0.21  1.0
  Cl  Cl3  1  0.79  0.94  0.27  1.0

Ag Hg Cl Cl