data_Ag2GeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.06
_cell_angle_alpha   100.88
_cell_angle_beta   100.88
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeAu
_chemical_formula_sum   'Ag2 Ge1 Au1'
_cell_volume   72.7
_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
  Ag  Ag0  1  0.02  0.0  0.23  1.0
  Ag  Ag1  1  0.69  0.0  0.73  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.36  0.0  0.48  1.0

data_Ag2GeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.06
_cell_length_c   5.09
_cell_angle_alpha   100.88
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeAu
_chemical_formula_sum   'Ag2 Ge1 Au1'
_cell_volume   72.7
_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
  Ag  Ag0  1  0.0  0.23  0.02  1.0
  Ag  Ag1  1  0.0  0.73  0.69  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.48  0.36  1.0

Ag Ag Ge Au
Ag Ag Ge Au 0 2 o o o 0 3 o o o 1 3 o o o 1 2 + o + 