data_Sn2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.0
_cell_length_b   11.0
_cell_length_c   11.0
_cell_angle_alpha   18.2
_cell_angle_beta   18.2
_cell_angle_gamma   18.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgBi
_chemical_formula_sum   'Sn2 Hg1 Bi1'
_cell_volume   113.52
_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
  Sn  Sn2  1  0.0  0.0  0.45  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0
  Hg  Hg1  1  0.0  0.0  0.26  1.0
  Bi  Bi0  1  0.0  0.0  0.25  1.0

data_Sn2HgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   3.48
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2HgBi
_chemical_formula_sum   'Sn4 Hg2 Bi2'
_cell_volume   227.05
_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
  Sn  Sn0  2  0.0  0.0  0.55  1.0
  Sn  Sn1  2  0.0  0.0  0.82  1.0
  Hg  Hg2  2  0.0  0.0  0.74  1.0
  Bi  Bi3  2  0.0  0.0  0.75  1.0

Sn Sn Hg Bi
Sn Sn Hg Bi 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 