data_Co2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.94
_cell_angle_alpha   104.24
_cell_angle_beta   104.24
_cell_angle_gamma   29.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Cu
_chemical_formula_sum   'Co4 Cu2'
_cell_volume   66.96
_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  0.04  0.0  0.04  1.0
  Co  Co1  1  0.93  0.0  0.6  1.0
  Co  Co2  1  0.9  0.0  0.15  1.0
  Co  Co3  1  0.79  0.0  0.7  1.0
  Cu  Cu4  1  0.31  0.0  0.07  1.0
  Cu  Cu5  1  0.52  0.0  0.67  1.0

data_Co2Cu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.5
_cell_length_b   4.83
_cell_length_c   5.94
_cell_angle_alpha   104.24
_cell_angle_beta   90.0
_cell_angle_gamma   104.96
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Co2Cu
_chemical_formula_sum   'Co4 Cu2'
_cell_volume   66.96
_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  0.0  0.02  0.72  1.0
  Co  Co1  2  0.0  0.13  0.17  1.0
  Cu  Cu2  2  0.0  0.4  0.2  1.0

Co Co Co Co Cu Cu