data_Al2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ni
_chemical_formula_sum   'Al4 Ni2'
_cell_volume   84.36
_cell_formula_units_Z   2
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  0.39  0.05  0.61  1.0
  Al  Al1  1  0.39  0.95  0.87  1.0
  Al  Al2  1  0.39  0.51  0.77  1.0
  Al  Al3  1  0.39  0.49  0.04  1.0
  Ni  Ni4  1  0.39  0.41  0.05  1.0
  Ni  Ni5  1  0.39  0.59  0.32  1.0

data_Al2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.85
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ni
_chemical_formula_sum   'Al4 Ni2'
_cell_volume   84.36
_cell_formula_units_Z   2
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  0.05  0.44  0.87  1.0
  Al  Al1  1  0.49  0.88  0.77  1.0
  Al  Al2  1  0.51  0.9  0.04  1.0
  Al  Al3  1  0.95  0.34  0.61  1.0
  Ni  Ni4  1  0.41  0.8  0.32  1.0
  Ni  Ni5  1  0.59  0.98  0.05  1.0

Al Al Al Al Ni Ni