data_HgPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.69
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPb2Cl
_chemical_formula_sum   'Hg1 Pb2 Cl1'
_cell_volume   113.79
_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
  Hg  Hg1  1  0.0  0.0  0.5  1.0
  Pb  Pb2  1  0.73  0.34  0.26  1.0
  Pb  Pb3  1  0.73  0.34  0.75  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HgPb2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.46
_cell_length_b   7.01
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HgPb2Cl
_chemical_formula_sum   'Hg1 Pb2 Cl1'
_cell_volume   113.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.73  0.25  0.34  1.0
  Cl  Cl2  1  0.0  0.5  0.0  1.0

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