data_SnHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   3.38
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   115.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Pb
_chemical_formula_sum   'Sn1 Hg2 Pb1'
_cell_volume   111.86
_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  0.0  1.0
  Hg  Hg0  1  0.02  0.66  0.56  1.0
  Hg  Hg1  1  0.02  0.34  0.56  1.0
  Pb  Pb2  1  0.37  0.0  0.0  1.0

data_SnHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   6.25
_cell_length_c   6.3
_cell_angle_alpha   117.63
_cell_angle_beta   102.07
_cell_angle_gamma   96.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Pb
_chemical_formula_sum   'Sn1 Hg2 Pb1'
_cell_volume   111.86
_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  Sn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.22  0.66  0.69  1.0
  Hg  Hg2  1  0.89  0.34  0.36  1.0
  Pb  Pb3  1  0.0  0.0  0.37  1.0

Sn Hg Hg Pb