data_ZnHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgPb2
_chemical_formula_sum   'Zn1 Hg1 Pb2'
_cell_volume   106.74
_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  0.6  1.0
  Hg  Hg0  1  0.99  0.0  0.68  1.0
  Pb  Pb1  1  0.0  0.0  0.14  1.0
  Pb  Pb2  1  0.99  0.0  0.85  1.0

data_ZnHgPb2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   5.63
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ZnHgPb2
_chemical_formula_sum   'Zn2 Hg2 Pb4'
_cell_volume   213.48
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Zn  Zn0  2  0.0  0.0  0.4  1.0
  Hg  Hg1  2  0.0  0.0  0.32  1.0
  Pb  Pb2  2  0.0  0.0  0.15  1.0
  Pb  Pb3  2  0.0  0.0  0.86  1.0

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