data_CdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   3.11
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu
_chemical_formula_sum   'Cd2 Cu2'
_cell_volume   65.42
_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
  Cd  Cd0  1  0.41  0.56  0.3  1.0
  Cd  Cd1  1  0.14  0.56  0.32  1.0
  Cu  Cu2  1  0.41  0.0  0.68  1.0
  Cu  Cu3  1  0.14  0.0  0.95  1.0

data_CdCu
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.55
_cell_length_b   3.11
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CdCu
_chemical_formula_sum   'Cd2 Cu2'
_cell_volume   65.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cd  Cd0  2  0.14  0.56  0.99  1.0
  Cu  Cu1  2  0.14  0.0  0.36  1.0

Cd Cd Cu Cu
Cd Cd Cu Cu 0 1 o o o 2 3 o o o 