data_Ag2HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   24.33
_cell_angle_beta   24.33
_cell_angle_gamma   24.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgBr
_chemical_formula_sum   'Ag2 Hg1 Br1'
_cell_volume   92.54
_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  0.22  1.0
  Ag  Ag1  1  0.0  0.0  0.6  1.0
  Hg  Hg3  1  0.0  0.0  0.41  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Ag2HgBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   3.59
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2HgBr
_chemical_formula_sum   'Ag4 Hg2 Br2'
_cell_volume   185.08
_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  0.4  1.0
  Ag  Ag1  2  0.0  0.0  0.78  1.0
  Hg  Hg2  2  0.0  0.0  0.59  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ag Ag Hg Br