data_ZnHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.81
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgPb2
_chemical_formula_sum   'Zn1 Hg1 Pb2'
_cell_volume   105.51
_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
  Zn  Zn3  1  0.0  0.0  0.14  1.0
  Hg  Hg0  1  0.77  0.9  0.56  1.0
  Pb  Pb1  1  0.0  0.0  0.57  1.0
  Pb  Pb2  1  0.77  0.9  0.29  1.0

data_ZnHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.81
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgPb2
_chemical_formula_sum   'Zn1 Hg1 Pb2'
_cell_volume   105.51
_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
  Zn  Zn0  1  0.0  0.0  0.14  1.0
  Hg  Hg1  1  0.77  0.9  0.56  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0
  Pb  Pb3  1  0.77  0.9  0.29  1.0

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