data_Al2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   106.16
_cell_angle_beta   106.16
_cell_angle_gamma   116.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Au
_chemical_formula_sum   'Al4 Au2'
_cell_volume   106.71
_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  0.93  0.19  0.0  1.0
  Al  Al1  1  0.19  0.93  0.74  1.0
  Al  Al2  1  0.05  0.93  0.0  1.0
  Al  Al3  1  0.07  0.19  0.74  1.0
  Au  Au4  1  0.0  0.0  0.11  1.0
  Au  Au5  1  0.0  0.0  0.37  1.0

data_Al2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   106.16
_cell_angle_beta   106.16
_cell_angle_gamma   116.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Au
_chemical_formula_sum   'Al4 Au2'
_cell_volume   106.71
_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  0.93  0.0  1.0
  Al  Al1  1  0.07  0.19  0.74  1.0
  Al  Al2  1  0.19  0.93  0.74  1.0
  Al  Al3  1  0.93  0.19  0.0  1.0
  Au  Au4  1  0.0  0.0  0.11  1.0
  Au  Au5  1  0.0  0.0  0.37  1.0

Al Al Al Al Au Au