data_HgPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   5.89
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPb2Cl
_chemical_formula_sum   'Hg1 Pb2 Cl1'
_cell_volume   119.82
_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  0.34  0.94  0.82  1.0
  Pb  Pb2  1  0.18  0.0  0.35  1.0
  Pb  Pb3  1  0.97  0.94  0.1  1.0
  Cl  Cl0  1  0.32  0.0  0.3  1.0

data_HgPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.89
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPb2Cl
_chemical_formula_sum   'Hg1 Pb2 Cl1'
_cell_volume   119.82
_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  Hg0  1  0.34  0.94  0.82  1.0
  Pb  Pb1  1  0.18  0.0  0.35  1.0
  Pb  Pb2  1  0.97  0.94  0.1  1.0
  Cl  Cl3  1  0.32  0.0  0.3  1.0

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