data_AlGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.82
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   32.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Au
_chemical_formula_sum   'Al1 Ge2 Au1'
_cell_volume   73.09
_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
  Ge  Ge2  1  0.92  0.0  0.56  1.0
  Ge  Ge3  1  0.51  0.0  0.17  1.0
  Au  Au1  1  0.71  0.0  0.37  1.0

data_AlGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.82
_cell_length_c   5.38
_cell_angle_alpha   100.32
_cell_angle_beta   106.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Au
_chemical_formula_sum   'Al1 Ge2 Au1'
_cell_volume   73.09
_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
  Ge  Ge1  1  0.0  0.17  0.51  1.0
  Ge  Ge2  1  0.0  0.56  0.92  1.0
  Au  Au3  1  0.0  0.37  0.71  1.0

Al Ge Ge Au
Al Ge Ge Au 0 1 - o - 0 3 - o o 1 3 o o o 2 3 o o o 