data_PPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.97
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   95.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPdCl2
_chemical_formula_sum   'P1 Pd1 Cl2'
_cell_volume   72.71
_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
  P  P2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.69  0.0  0.39  1.0
  Cl  Cl0  1  0.63  0.99  0.59  1.0
  Cl  Cl1  1  0.75  0.99  0.19  1.0

data_PPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.97
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   95.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPdCl2
_chemical_formula_sum   'P1 Pd1 Cl2'
_cell_volume   72.71
_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
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.69  0.0  0.39  1.0
  Cl  Cl2  1  0.63  0.99  0.59  1.0
  Cl  Cl3  1  0.75  0.99  0.19  1.0

P Pd Cl Cl
P Pd Cl Cl 0 3 - - o 1 2 o - o 1 3 o - o 