data_Si2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   19.82
_cell_angle_beta   19.82
_cell_angle_gamma   19.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnHg
_chemical_formula_sum   'Si2 Sn1 Hg1'
_cell_volume   85.77
_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  Si1  1  0.0  0.0  0.98  1.0
  Si  Si2  1  0.0  0.0  0.9  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.94  1.0

data_Si2SnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   101.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SnHg
_chemical_formula_sum   'Si4 Sn2 Hg2'
_cell_volume   171.54
_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  0.02  1.0
  Si  Si1  2  0.0  0.0  0.1  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.06  1.0

Si Si Sn Hg