data_Ag2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Hg
_chemical_formula_sum   'Ag6 Hg3'
_cell_volume   175.72
_cell_formula_units_Z   3
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  0.74  0.18  0.51  1.0
  Ag  Ag1  1  0.38  0.55  0.0  1.0
  Ag  Ag2  1  0.51  0.0  0.51  1.0
  Ag  Ag3  1  0.84  0.92  0.51  1.0
  Ag  Ag4  1  0.25  0.0  0.0  1.0
  Ag  Ag5  1  0.47  0.55  0.0  1.0
  Hg  Hg6  1  0.0  0.0  0.0  1.0
  Hg  Hg7  1  0.0  0.73  0.51  1.0
  Hg  Hg8  1  0.1  0.36  0.51  1.0

data_Ag2Hg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   8.19
_cell_length_b   3.02
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ag2Hg
_chemical_formula_sum   'Ag6 Hg3'
_cell_volume   175.72
_cell_formula_units_Z   3
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  1  0.25  0.0  0.0  1.0
  Ag  Ag1  1  0.38  0.0  0.55  1.0
  Ag  Ag2  1  0.47  0.0  0.55  1.0
  Ag  Ag3  1  0.51  0.5  0.0  1.0
  Ag  Ag4  1  0.74  0.5  0.18  1.0
  Ag  Ag5  1  0.84  0.5  0.92  1.0
  Hg  Hg6  1  0.0  0.0  0.0  1.0
  Hg  Hg7  1  0.0  0.5  0.73  1.0
  Hg  Hg8  1  0.1  0.5  0.36  1.0

Ag Ag Ag Ag Ag Ag Hg Hg Hg