data_SiAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgHg2
_chemical_formula_sum   'Si1 Ag1 Hg2'
_cell_volume   83.32
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.45  0.45  0.0  1.0
  Hg  Hg1  1  0.45  0.0  0.73  1.0
  Hg  Hg2  1  0.0  0.45  0.73  1.0

data_SiAgHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiAgHg2
_chemical_formula_sum   'Si2 Ag2 Hg4'
_cell_volume   166.64
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.45  0.0  -0.0  1.0
  Hg  Hg2  4  0.23  0.23  0.73  1.0

Si Ag Hg Hg
Si Ag Hg Hg 0 2 - o - 0 2 o o - 0 3 o - - 0 3 o o - 1 3 o o - 1 3 + o - 1 2 o o - 1 2 o + - 