data_Ag2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   116.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Hg
_chemical_formula_sum   'Ag4 Hg2'
_cell_volume   125.11
_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  0.32  0.98  0.0  1.0
  Ag  Ag1  1  0.32  0.02  0.87  1.0
  Ag  Ag2  1  0.98  0.29  0.0  1.0
  Ag  Ag3  1  0.98  0.32  0.87  1.0
  Hg  Hg4  1  0.0  0.0  0.43  1.0
  Hg  Hg5  1  0.0  0.0  0.3  1.0

data_Ag2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   116.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Hg
_chemical_formula_sum   'Ag4 Hg2'
_cell_volume   125.11
_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  0.02  0.71  0.0  1.0
  Ag  Ag1  1  0.54  0.85  0.87  1.0
  Ag  Ag2  1  0.68  0.02  0.0  1.0
  Ag  Ag3  1  0.88  0.54  0.87  1.0
  Hg  Hg4  1  0.3  0.3  0.3  1.0
  Hg  Hg5  1  0.43  0.43  0.43  1.0

Ag Ag Ag Ag Hg Hg
Ag Ag Ag Ag Hg Hg 0 1 o + - 2 3 o o - 4 5 o o o 