data_Zn2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.53
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   105.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgPb
_chemical_formula_sum   'Zn2 Hg1 Pb1'
_cell_volume   93.3
_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  Zn2  1  0.11  0.86  0.69  1.0
  Zn  Zn3  1  0.11  0.14  0.69  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.23  0.0  0.0  1.0

data_Zn2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   105.71
_cell_angle_beta   100.06
_cell_angle_gamma   100.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgPb
_chemical_formula_sum   'Zn2 Hg1 Pb1'
_cell_volume   93.3
_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  0.69  0.11  0.14  1.0
  Zn  Zn1  1  0.69  0.11  0.86  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.23  0.0  1.0

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