data_Cu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ni
_chemical_formula_sum   'Cu4 Ni2'
_cell_volume   64.87
_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  0.43  0.52  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.43  0.48  0.03  1.0
  Cu  Cu3  1  0.43  0.0  0.03  1.0
  Ni  Ni4  1  0.15  0.24  0.0  1.0
  Ni  Ni5  1  0.15  0.76  0.0  1.0

data_Cu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   80.41
_cell_angle_beta   70.53
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ni
_chemical_formula_sum   'Cu4 Ni2'
_cell_volume   64.87
_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  0.43  0.97  1.0
  Cu  Cu2  1  0.48  0.95  0.97  1.0
  Cu  Cu3  1  0.52  0.91  0.97  1.0
  Ni  Ni4  1  0.24  0.91  -0.0  1.0
  Ni  Ni5  1  0.76  0.39  -0.0  1.0

Cu Cu Cu Cu Ni Ni