data_AlCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al2 Cu4 Ni2'
_cell_volume   102.55
_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  0.0  0.0  0.62  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.02  0.17  0.64  1.0
  Cu  Cu3  1  0.0  0.33  0.26  1.0
  Cu  Cu4  1  0.0  0.33  0.61  1.0
  Cu  Cu5  1  0.02  0.17  0.99  1.0
  Ni  Ni6  1  0.02  0.17  0.44  1.0
  Ni  Ni7  1  0.0  0.33  0.81  1.0

data_AlCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al2 Cu4 Ni2'
_cell_volume   102.55
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.62  1.0
  Cu  Cu2  1  0.0  0.33  0.26  1.0
  Cu  Cu3  1  0.0  0.33  0.61  1.0
  Cu  Cu4  1  0.02  0.17  0.64  1.0
  Cu  Cu5  1  0.02  0.17  0.99  1.0
  Ni  Ni6  1  0.0  0.33  0.81  1.0
  Ni  Ni7  1  0.02  0.17  0.44  1.0

Al Al Cu Cu Cu Cu Ni Ni