data_SiSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   5.15
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Hg
_chemical_formula_sum   'Si1 Sn2 Hg1'
_cell_volume   97.28
_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  0.06  1.0
  Sn  Sn2  1  0.63  0.58  0.1  1.0
  Sn  Sn3  1  0.0  0.0  0.15  1.0
  Hg  Hg0  1  0.63  0.58  0.2  1.0

data_SiSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.15
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Hg
_chemical_formula_sum   'Si1 Sn2 Hg1'
_cell_volume   97.28
_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  Si0  1  0.0  0.0  0.06  1.0
  Sn  Sn1  1  0.0  0.0  0.15  1.0
  Sn  Sn2  1  0.63  0.58  0.1  1.0
  Hg  Hg3  1  0.63  0.58  0.2  1.0

Si Sn Sn Hg
Si Sn Sn Hg 0 2 o o o 1 3 o o o 