data_AgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.1
_cell_length_b   12.1
_cell_length_c   12.1
_cell_angle_alpha   165.57
_cell_angle_beta   161.37
_cell_angle_gamma   23.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2
_chemical_formula_sum   'Ag2 Hg4'
_cell_volume   140.83
_cell_formula_units_Z   2
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  0.98  0.73  1.0
  Ag  Ag1  1  0.52  0.98  0.11  1.0
  Hg  Hg2  1  0.0  0.98  0.15  1.0
  Hg  Hg3  1  0.0  0.98  0.6  1.0
  Hg  Hg4  1  0.52  0.98  0.24  1.0
  Hg  Hg5  1  0.52  0.98  0.69  1.0

data_AgHg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.04
_cell_length_b   3.92
_cell_length_c   12.1
_cell_angle_alpha   99.32
_cell_angle_beta   97.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgHg2
_chemical_formula_sum   'Ag2 Hg4'
_cell_volume   140.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.81  0.07  1.0
  Hg  Hg1  2  0.06  0.32  0.06  1.0
  Hg  Hg2  2  0.49  0.23  0.49  1.0

Ag Ag Hg Hg Hg Hg