data_CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.05
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   30.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu
_chemical_formula_sum   'Co3 Cu3'
_cell_volume   68.26
_cell_formula_units_Z   3
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  0.13  0.0  0.64  1.0
  Co  Co1  1  0.7  0.0  0.98  1.0
  Co  Co2  1  0.01  0.0  0.81  1.0
  Cu  Cu3  1  0.3  0.0  0.01  1.0
  Cu  Cu4  1  0.52  0.0  0.55  1.0
  Cu  Cu5  1  0.19  0.0  0.51  1.0

data_CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.82
_cell_length_c   6.05
_cell_angle_alpha   105.11
_cell_angle_beta   90.0
_cell_angle_gamma   105.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu
_chemical_formula_sum   'Co3 Cu3'
_cell_volume   68.26
_cell_formula_units_Z   3
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  0.3  0.02  1.0
  Co  Co1  1  0.0  0.87  0.36  1.0
  Co  Co2  1  0.0  0.99  0.19  1.0
  Cu  Cu3  1  0.0  0.48  0.45  1.0
  Cu  Cu4  1  0.0  0.7  0.99  1.0
  Cu  Cu5  1  0.0  0.81  0.49  1.0

Co Co Co Cu Cu Cu