data_GeOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsAu2
_chemical_formula_sum   'Ge1 Os1 Au2'
_cell_volume   68.98
_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  Ge2  1  0.0  0.0  0.48  1.0
  Os  Os3  1  0.49  0.0  0.52  1.0
  Au  Au0  1  0.0  0.0  0.1  1.0
  Au  Au1  1  0.49  0.0  0.01  1.0

data_GeOsAu2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.87
_cell_length_b   9.41
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   117.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   GeOsAu2
_chemical_formula_sum   'Ge1 Os1 Au2'
_cell_volume   68.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.52  0.0  1.0
  Os  Os1  1  0.5  0.48  0.0  1.0
  Au  Au2  1  0.0  0.9  0.0  1.0
  Au  Au3  1  0.5  0.99  0.0  1.0

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