data_Cu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41
_cell_length_b   3.93
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ni
_chemical_formula_sum   'Cu4 Ni2'
_cell_volume   64.45
_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
  Cu  Cu0  1  0.8  0.97  0.67  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.61  0.97  0.13  1.0
  Cu  Cu3  1  0.0  0.97  0.4  1.0
  Ni  Ni4  1  0.8  0.0  0.27  1.0
  Ni  Ni5  1  0.61  0.0  0.54  1.0

data_Cu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.41
_cell_length_b   3.93
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ni
_chemical_formula_sum   'Cu4 Ni2'
_cell_volume   64.45
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.97  0.4  1.0
  Cu  Cu2  1  0.61  0.97  0.13  1.0
  Cu  Cu3  1  0.8  0.97  0.67  1.0
  Ni  Ni4  1  0.61  0.0  0.54  1.0
  Ni  Ni5  1  0.8  0.0  0.27  1.0

Cu Cu Cu Cu Ni Ni