data_KPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.5
_cell_angle_beta   110.46
_cell_angle_gamma   83.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPdCl2
_chemical_formula_sum   'K1 Pd1 Cl2'
_cell_volume   102.3
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.16  1.0
  Cl  Cl0  1  0.93  0.0  0.55  1.0
  Cl  Cl1  1  0.0  0.18  0.61  1.0

data_KPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   69.54
_cell_angle_beta   69.75
_cell_angle_gamma   69.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPdCl2
_chemical_formula_sum   'K1 Pd1 Cl2'
_cell_volume   102.3
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.16  1.0
  Cl  Cl2  1  0.0  0.07  0.55  1.0
  Cl  Cl3  1  0.18  -0.0  0.42  1.0

K Pd Cl Cl
K Pd Cl Cl 0 1 o o o 2 3 + o o 