data_K2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   5.43
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgPb
_chemical_formula_sum   'K2 Hg1 Pb1'
_cell_volume   147.62
_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
  K  K1  1  0.81  0.72  0.8  1.0
  K  K2  1  0.77  0.72  0.28  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.87  0.0  0.54  1.0

data_K2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.43
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgPb
_chemical_formula_sum   'K2 Hg1 Pb1'
_cell_volume   147.62
_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
  K  K0  1  0.77  0.72  0.28  1.0
  K  K1  1  0.81  0.72  0.8  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.87  0.0  0.54  1.0

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