data_SnHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31
_cell_length_b   11.31
_cell_length_c   11.31
_cell_angle_alpha   17.43
_cell_angle_beta   17.43
_cell_angle_gamma   17.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Pb
_chemical_formula_sum   'Sn1 Hg2 Pb1'
_cell_volume   113.25
_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  Sn3  1  0.0  0.0  1.0  1.0
  Hg  Hg0  1  0.0  0.0  0.37  1.0
  Hg  Hg1  1  0.0  0.0  0.45  1.0
  Pb  Pb2  1  0.0  0.0  0.7  1.0

data_SnHg2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnHg2Pb
_chemical_formula_sum   'Sn2 Hg4 Pb2'
_cell_volume   226.5
_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  0.0  1.0
  Hg  Hg1  2  -0.0  0.0  0.55  1.0
  Hg  Hg2  2  -0.0  0.0  0.63  1.0
  Pb  Pb3  2  -0.0  0.0  0.3  1.0

Sn Hg Hg Pb
Sn Hg Hg Pb 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 