data_KHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.51
_cell_angle_alpha   98.23
_cell_angle_beta   98.23
_cell_angle_gamma   40.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPb2
_chemical_formula_sum   'K1 Hg1 Pb2'
_cell_volume   138.42
_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  0.3  0.0  0.95  1.0
  Hg  Hg0  1  0.45  0.0  0.99  1.0
  Pb  Pb2  1  0.92  0.0  0.09  1.0
  Pb  Pb3  1  0.69  0.0  0.53  1.0

data_KHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.37
_cell_length_c   7.51
_cell_angle_alpha   98.23
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPb2
_chemical_formula_sum   'K1 Hg1 Pb2'
_cell_volume   138.42
_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  0.0  0.7  0.05  1.0
  Hg  Hg1  1  0.0  0.55  0.01  1.0
  Pb  Pb2  1  0.0  0.08  0.91  1.0
  Pb  Pb3  1  0.0  0.31  0.47  1.0

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