data_PtPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.12
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   100.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtPbCl2
_chemical_formula_sum   'Pt1 Pb1 Cl2'
_cell_volume   93.25
_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
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.92  0.0  0.4  1.0
  Cl  Cl0  1  0.27  0.06  0.8  1.0
  Cl  Cl1  1  0.56  0.06  0.0  1.0

data_PtPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.72
_cell_length_c   4.88
_cell_angle_alpha   100.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtPbCl2
_chemical_formula_sum   'Pt1 Pb1 Cl2'
_cell_volume   93.25
_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
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.08  0.6  1.0
  Cl  Cl2  1  0.94  0.44  1.0  1.0
  Cl  Cl3  1  0.94  0.73  0.2  1.0

Pt Pb Cl Cl