data_PdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.17
_cell_angle_alpha   118.94
_cell_angle_beta   118.94
_cell_angle_gamma   31.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdCl3
_chemical_formula_sum   'Pd1 Cl3'
_cell_volume   100.11
_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
  Pd  Pd3  1  0.26  0.0  0.67  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.63  0.0  0.81  1.0
  Cl  Cl2  1  0.89  0.0  0.52  1.0

data_PdCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   6.03
_cell_length_c   6.17
_cell_angle_alpha   118.94
_cell_angle_beta   90.0
_cell_angle_gamma   105.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdCl3
_chemical_formula_sum   'Pd1 Cl3'
_cell_volume   100.11
_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
  Pd  Pd0  1  0.0  0.74  0.33  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.11  0.48  1.0
  Cl  Cl3  1  0.0  0.37  0.19  1.0

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