data_Al(CuNi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   14.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(CuNi2)2
_chemical_formula_sum   'Al1 Cu2 Ni4'
_cell_volume   83.36
_cell_formula_units_Z   1
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
  Cu  Cu1  1  0.0  0.49  0.25  1.0
  Cu  Cu2  1  0.29  0.74  0.28  1.0
  Ni  Ni3  1  0.0  0.49  0.29  1.0
  Ni  Ni4  1  0.29  0.74  0.24  1.0
  Ni  Ni5  1  0.0  0.49  0.62  1.0
  Ni  Ni6  1  0.29  0.74  0.91  1.0

data_Al(CuNi2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   14.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(CuNi2)2
_chemical_formula_sum   'Al1 Cu2 Ni4'
_cell_volume   83.36
_cell_formula_units_Z   1
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
  Cu  Cu1  1  0.0  0.49  0.25  1.0
  Cu  Cu2  1  0.29  0.74  0.28  1.0
  Ni  Ni3  1  0.0  0.49  0.29  1.0
  Ni  Ni4  1  0.0  0.49  0.62  1.0
  Ni  Ni5  1  0.29  0.74  0.24  1.0
  Ni  Ni6  1  0.29  0.74  0.91  1.0

Al Cu Cu Ni Ni Ni Ni