data_Cu2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   107.63
_cell_angle_beta   107.63
_cell_angle_gamma   113.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pd
_chemical_formula_sum   'Cu4 Pd2'
_cell_volume   88.8
_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  0.01  0.87  0.0  1.0
  Cu  Cu1  1  0.01  0.13  0.68  1.0
  Cu  Cu2  1  0.87  0.75  0.0  1.0
  Cu  Cu3  1  0.87  0.01  0.68  1.0
  Pd  Pd4  1  0.0  0.0  0.34  1.0
  Pd  Pd5  1  0.0  0.0  0.02  1.0

data_Cu2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   107.63
_cell_angle_beta   107.63
_cell_angle_gamma   113.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pd
_chemical_formula_sum   'Cu4 Pd2'
_cell_volume   88.8
_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  0.13  0.25  -0.0  1.0
  Cu  Cu1  1  0.67  0.55  0.68  1.0
  Cu  Cu2  1  0.81  0.67  0.68  1.0
  Cu  Cu3  1  0.99  0.13  -0.0  1.0
  Pd  Pd4  1  0.02  0.02  0.02  1.0
  Pd  Pd5  1  0.34  0.34  0.34  1.0

Cu Cu Cu Cu Pd Pd