data_Ge2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.23
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   92.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2OsAu
_chemical_formula_sum   'Ge2 Os1 Au1'
_cell_volume   68.5
_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
  Ge  Ge1  1  0.56  0.12  0.05  1.0
  Ge  Ge2  1  0.3  0.12  0.18  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.43  0.0  0.61  1.0

data_Ge2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.23
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   92.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2OsAu
_chemical_formula_sum   'Ge2 Os1 Au1'
_cell_volume   68.5
_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
  Ge  Ge0  1  0.3  0.12  0.18  1.0
  Ge  Ge1  1  0.56  0.12  0.05  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.43  0.0  0.61  1.0

Ge Ge Os Au
Ge Ge Os Au 0 1 o o o 0 2 + o o 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o - 2 3 - o - 