data_AlCuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   145.37
_cell_angle_beta   135.54
_cell_angle_gamma   57.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuNi
_chemical_formula_sum   'Al1 Cu1 Ni1'
_cell_volume   36.5
_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  0.89  1.0
  Cu  Cu1  1  0.0  0.0  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.67  1.0

data_AlCuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.42
_cell_length_c   4.52
_cell_angle_alpha   112.23
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuNi
_chemical_formula_sum   'Al1 Cu1 Ni1'
_cell_volume   36.5
_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  0.89  0.89  1.0
  Cu  Cu1  1  0.0  0.29  0.29  1.0
  Ni  Ni2  1  0.0  0.67  0.67  1.0

Al Cu Ni