data_SiHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Cl
_chemical_formula_sum   'Si1 Hg2 Cl1'
_cell_volume   105.33
_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  0.44  1.0
  Hg  Hg1  1  0.0  0.0  0.2  1.0
  Hg  Hg2  1  0.9  0.9  0.77  1.0
  Cl  Cl0  1  0.9  0.9  0.79  1.0

data_SiHg2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiHg2Cl
_chemical_formula_sum   'Si2 Hg4 Cl2'
_cell_volume   210.66
_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  0.44  1.0
  Hg  Hg1  2  0.0  0.0  0.2  1.0
  Hg  Hg2  2  0.4  0.5  0.77  1.0
  Cl  Cl3  2  0.4  0.5  0.79  1.0

Si Hg Hg Cl