data_Al2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   125.43
_cell_angle_beta   123.68
_cell_angle_gamma   82.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuNi
_chemical_formula_sum   'Al2 Cu1 Ni1'
_cell_volume   49.84
_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  0.6  1.0
  Al  Al1  1  0.95  0.0  0.59  1.0
  Cu  Cu2  1  0.0  0.0  0.2  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Al2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.01
_cell_length_c   4.24
_cell_angle_alpha   118.16
_cell_angle_beta   117.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuNi
_chemical_formula_sum   'Al2 Cu1 Ni1'
_cell_volume   49.84
_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  0.35  0.41  0.35  1.0
  Al  Al1  1  0.4  0.4  0.4  1.0
  Cu  Cu2  1  0.8  0.8  0.8  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Al Al Cu Ni