data_AlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   55.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAu2
_chemical_formula_sum   'Al2 Au4'
_cell_volume   101.41
_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  0.48  0.78  0.57  1.0
  Al  Al1  1  0.48  0.22  0.19  1.0
  Au  Au2  1  0.87  0.16  0.57  1.0
  Au  Au3  1  0.08  0.84  0.19  1.0
  Au  Au4  1  0.08  0.16  0.57  1.0
  Au  Au5  1  0.87  0.84  0.19  1.0

data_AlAu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   117.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlAu2
_chemical_formula_sum   'Al2 Au4'
_cell_volume   101.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.81  0.22  1.0
  Au  Au1  2  0.16  0.19  0.55  1.0
  Au  Au2  2  0.16  0.19  0.77  1.0

Al Al Au Au Au Au