data_Al5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.57
_cell_angle_alpha   106.78
_cell_angle_beta   106.78
_cell_angle_gamma   48.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ni
_chemical_formula_sum   'Al5 Ni1'
_cell_volume   91.74
_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  0.29  0.0  0.76  1.0
  Al  Al1  1  0.64  0.0  0.88  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.41  0.0  0.41  1.0
  Al  Al4  1  0.76  0.0  0.52  1.0
  Ni  Ni5  1  0.12  0.0  0.64  1.0

data_Al5Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.83
_cell_length_c   5.57
_cell_angle_alpha   106.78
_cell_angle_beta   90.0
_cell_angle_gamma   114.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ni
_chemical_formula_sum   'Al5 Ni1'
_cell_volume   91.74
_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
  Al  Al1  1  0.0  0.24  0.48  1.0
  Al  Al2  1  0.0  0.36  0.12  1.0
  Al  Al3  1  0.0  0.59  0.59  1.0
  Al  Al4  1  0.0  0.71  0.24  1.0
  Ni  Ni5  1  0.0  0.88  0.36  1.0

Al Al Al Al Al Ni