data_Cu2PPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PPd2
_chemical_formula_sum   'Cu4 P2 Pd4'
_cell_volume   138.75
_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
  Cu  Cu0  1  0.82  0.76  0.85  1.0
  Cu  Cu1  1  0.18  0.24  0.85  1.0
  Cu  Cu2  1  0.82  0.24  0.59  1.0
  Cu  Cu3  1  0.18  0.76  0.59  1.0
  P  P4  1  0.75  0.8  0.04  1.0
  P  P5  1  0.75  0.2  0.78  1.0
  Pd  Pd6  1  0.9  0.62  0.62  1.0
  Pd  Pd7  1  0.11  0.38  0.62  1.0
  Pd  Pd8  1  0.11  0.62  0.87  1.0
  Pd  Pd9  1  0.9  0.38  0.87  1.0

data_Cu2PPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PPd2
_chemical_formula_sum   'Cu4 P2 Pd4'
_cell_volume   138.75
_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
  Cu  Cu0  1  0.18  0.24  0.85  1.0
  Cu  Cu1  1  0.18  0.76  0.59  1.0
  Cu  Cu2  1  0.82  0.24  0.59  1.0
  Cu  Cu3  1  0.82  0.76  0.85  1.0
  P  P4  1  0.75  0.2  0.78  1.0
  P  P5  1  0.75  0.8  0.04  1.0
  Pd  Pd6  1  0.11  0.38  0.62  1.0
  Pd  Pd7  1  0.11  0.62  0.87  1.0
  Pd  Pd8  1  0.9  0.38  0.87  1.0
  Pd  Pd9  1  0.9  0.62  0.62  1.0

Cu Cu Cu Cu P P Pd Pd Pd Pd