data_Al4Cu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   4.06
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Cu2Ni
_chemical_formula_sum   'Al8 Cu4 Ni2'
_cell_volume   196.85
_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
  Al  Al0  1  0.08  0.02  0.04  1.0
  Al  Al1  1  0.25  0.05  0.76  1.0
  Al  Al2  1  0.79  0.02  0.13  1.0
  Al  Al3  1  0.54  0.05  0.66  1.0
  Al  Al4  1  0.39  0.02  0.94  1.0
  Al  Al5  1  0.94  0.05  0.86  1.0
  Al  Al6  1  0.13  0.02  0.58  1.0
  Al  Al7  1  0.2  0.05  0.22  1.0
  Cu  Cu8  1  0.97  0.02  0.14  1.0
  Cu  Cu9  1  0.36  0.05  0.65  1.0
  Cu  Cu10  1  0.56  0.02  0.58  1.0
  Cu  Cu11  1  0.77  0.05  0.22  1.0
  Ni  Ni12  1  0.95  0.05  0.33  1.0
  Ni  Ni13  1  0.38  0.02  0.47  1.0

data_Al4Cu2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.06
_cell_length_b   7.13
_cell_length_c   7.35
_cell_angle_alpha   112.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al4Cu2Ni
_chemical_formula_sum   'Al8 Cu4 Ni2'
_cell_volume   196.85
_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
  Al  Al0  2  0.48  0.12  0.24  1.0
  Al  Al1  2  0.48  0.42  0.14  1.0
  Al  Al2  2  0.48  0.46  0.68  1.0
  Al  Al3  2  0.48  0.72  0.04  1.0
  Cu  Cu4  2  0.48  0.3  0.25  1.0
  Cu  Cu5  2  0.48  0.89  0.68  1.0
  Ni  Ni6  2  0.48  0.71  0.57  1.0

Al Al Al Al Al Al Al Al Cu Cu Cu Cu Ni Ni