data_AlCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.6
_cell_angle_alpha   103.05
_cell_angle_beta   103.05
_cell_angle_gamma   119.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al1 Cu2 Ni1'
_cell_volume   48.8
_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  0.65  0.13  0.16  1.0
  Cu  Cu2  1  0.65  0.87  0.16  1.0
  Ni  Ni3  1  0.47  0.0  0.0  1.0

data_AlCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.42
_cell_length_c   4.93
_cell_angle_alpha   115.19
_cell_angle_beta   103.05
_cell_angle_gamma   94.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Ni
_chemical_formula_sum   'Al1 Cu2 Ni1'
_cell_volume   48.8
_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  0.02  0.87  0.51  1.0
  Cu  Cu2  1  0.29  0.13  0.78  1.0
  Ni  Ni3  1  0.0  0.0  0.47  1.0

Al Cu Cu Ni