data_CuPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.63
_cell_length_c   2.69
_cell_angle_alpha   82.4
_cell_angle_beta   74.56
_cell_angle_gamma   23.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd2
_chemical_formula_sum   'Cu1 Pd2'
_cell_volume   43.74
_cell_formula_units_Z   1
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  0.0  1.0
  Pd  Pd1  1  0.54  0.21  0.38  1.0
  Pd  Pd2  1  0.54  0.21  0.51  1.0

data_CuPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.63
_cell_angle_alpha   97.6
_cell_angle_beta   97.6
_cell_angle_gamma   110.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd2
_chemical_formula_sum   'Cu1 Pd2'
_cell_volume   43.74
_cell_formula_units_Z   1
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  0.0  1.0
  Pd  Pd1  1  0.21  0.13  0.75  1.0
  Pd  Pd2  1  0.21  0.26  0.75  1.0

Cu Pd Pd