data_Cu3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   5.25
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Pd
_chemical_formula_sum   'Cu6 Pd2'
_cell_volume   103.06
_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  0.0  0.0  0.08  1.0
  Cu  Cu1  1  0.16  0.33  0.84  1.0
  Cu  Cu2  1  0.0  0.29  0.72  1.0
  Cu  Cu3  1  0.16  0.62  0.48  1.0
  Cu  Cu4  1  0.16  0.92  0.84  1.0
  Cu  Cu5  1  0.0  0.95  0.72  1.0
  Pd  Pd6  1  0.16  0.0  0.57  1.0
  Pd  Pd7  1  0.0  0.62  0.98  1.0

data_Cu3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.55
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Pd
_chemical_formula_sum   'Cu6 Pd2'
_cell_volume   103.06
_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  0.0  0.92  0.0  1.0
  Cu  Cu1  1  0.0  0.28  0.05  1.0
  Cu  Cu2  1  0.0  0.28  0.71  1.0
  Cu  Cu3  1  0.84  0.16  0.08  1.0
  Cu  Cu4  1  0.84  0.16  0.67  1.0
  Cu  Cu5  1  0.84  0.52  0.38  1.0
  Pd  Pd6  1  0.0  0.02  0.38  1.0
  Pd  Pd7  1  0.84  0.43  0.0  1.0

Cu Cu Cu Cu Cu Cu Pd Pd