data_CuPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd2
_chemical_formula_sum   'Cu4 Pd8'
_cell_volume   193.18
_cell_formula_units_Z   4
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  0.0  0.97  0.48  1.0
  Cu  Cu1  1  0.0  0.97  0.74  1.0
  Cu  Cu2  1  0.57  0.48  0.71  1.0
  Cu  Cu3  1  0.57  0.48  0.96  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.22  1.0
  Pd  Pd6  1  0.0  0.52  0.33  1.0
  Pd  Pd7  1  0.74  0.69  0.33  1.0
  Pd  Pd8  1  0.31  0.76  0.11  1.0
  Pd  Pd9  1  0.26  0.69  0.33  1.0
  Pd  Pd10  1  0.83  0.76  0.11  1.0
  Pd  Pd11  1  0.57  0.94  0.11  1.0

data_CuPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd2
_chemical_formula_sum   'Cu4 Pd8'
_cell_volume   193.18
_cell_formula_units_Z   4
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  -0.0  0.97  0.48  1.0
  Cu  Cu1  1  -0.0  0.97  0.74  1.0
  Cu  Cu2  1  0.57  0.48  0.71  1.0
  Cu  Cu3  1  0.57  0.48  0.96  1.0
  Pd  Pd4  1  -0.0  0.52  0.33  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0
  Pd  Pd6  1  0.0  0.0  0.22  1.0
  Pd  Pd7  1  0.26  0.69  0.33  1.0
  Pd  Pd8  1  0.31  0.76  0.11  1.0
  Pd  Pd9  1  0.57  0.94  0.11  1.0
  Pd  Pd10  1  0.74  0.69  0.33  1.0
  Pd  Pd11  1  0.83  0.76  0.11  1.0

Cu Cu Cu Cu Pd Pd Pd Pd Pd Pd Pd Pd
Cu Cu Cu Cu Pd Pd Pd Pd Pd Pd Pd Pd 0 7 - o o 0 5 o + o 0 1 o o o 1 2 - o o 1 4 o + + 2 3 o o o 3 10 o o + 4 10 - - o 5 10 - - o 5 7 - - o 6 9 o o o 6 7 - o o 7 10 o o o 8 11 o o o 