data_OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.71
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu
_chemical_formula_sum   'Os4 Au4'
_cell_volume   127.81
_cell_formula_units_Z   4
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
  Os  Os4  1  0.35  0.18  0.56  1.0
  Os  Os5  1  0.06  0.53  0.75  1.0
  Os  Os6  1  0.77  0.18  0.87  1.0
  Os  Os7  1  0.48  0.53  0.06  1.0
  Au  Au0  1  0.45  0.18  0.73  1.0
  Au  Au1  1  0.96  0.53  0.54  1.0
  Au  Au2  1  0.87  0.18  0.08  1.0
  Au  Au3  1  0.38  0.53  0.89  1.0

data_OsAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.71
_cell_length_b   4.83
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   OsAu
_chemical_formula_sum   'Os4 Au4'
_cell_volume   127.81
_cell_formula_units_Z   4
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
  Os  Os0  2  0.32  0.44  0.75  1.0
  Os  Os1  2  0.32  0.85  0.06  1.0
  Au  Au2  2  0.32  0.54  0.92  1.0
  Au  Au3  2  0.32  0.95  0.27  1.0

Os Os Os Os Au Au Au Au
Os Os Os Os Au Au Au Au 0 4 o o o 1 5 - o o 2 6 o o + 3 7 o o - 