data_AlGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   133.23
_cell_angle_beta   133.23
_cell_angle_gamma   68.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaAu2
_chemical_formula_sum   'Al1 Ga1 Au2'
_cell_volume   69.25
_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
  Ga  Ga3  1  0.0  0.02  0.11  1.0
  Au  Au1  1  0.02  0.0  0.11  1.0
  Au  Au2  1  0.0  0.0  0.22  1.0

data_AlGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.1
_cell_angle_alpha   113.38
_cell_angle_beta   113.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaAu2
_chemical_formula_sum   'Al1 Ga1 Au2'
_cell_volume   69.25
_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
  Ga  Ga1  1  0.09  0.11  0.09  1.0
  Au  Au2  1  0.11  0.09  0.09  1.0
  Au  Au3  1  0.22  0.22  0.22  1.0

Al Ga Au Au