data_KPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   121.33
_cell_angle_beta   121.33
_cell_angle_gamma   87.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd
_chemical_formula_sum   'K2 Pd2'
_cell_volume   99.39
_cell_formula_units_Z   2
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  0.57  0.89  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.78  1.0
  Pd  Pd3  1  0.57  0.0  0.89  1.0

data_KPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.24
_cell_angle_alpha   119.33
_cell_angle_beta   119.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd
_chemical_formula_sum   'K2 Pd2'
_cell_volume   99.39
_cell_formula_units_Z   2
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
  K  K1  1  0.68  0.57  0.68  1.0
  Pd  Pd2  1  0.11  0.0  0.68  1.0
  Pd  Pd3  1  0.22  0.0  0.22  1.0

K K Pd Pd