data_CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47
_cell_length_b   4.1
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu
_chemical_formula_sum   'Co2 Cu2'
_cell_volume   45.5
_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
  Co  Co0  1  0.0  0.0  0.59  1.0
  Co  Co1  1  0.24  0.05  0.9  1.0
  Cu  Cu2  1  0.0  0.05  0.12  1.0
  Cu  Cu3  1  0.24  0.0  0.38  1.0

data_CoCu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.47
_cell_length_b   4.1
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoCu
_chemical_formula_sum   'Co2 Cu2'
_cell_volume   45.5
_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
  Co  Co0  2  0.12  0.03  0.65  1.0
  Cu  Cu1  2  0.12  0.97  0.13  1.0

Co Co Cu Cu
Co Co Cu Cu 0 3 o o o 1 2 o o + 2 3 o o o 