data_OsAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   151.98
_cell_angle_beta   61.39
_cell_angle_gamma   126.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu3
_chemical_formula_sum   'Os1 Au3'
_cell_volume   68.28
_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
  Os  Os3  1  0.0  0.0  0.88  1.0
  Au  Au0  1  0.0  0.56  0.56  1.0
  Au  Au1  1  0.0  0.88  0.8  1.0
  Au  Au2  1  0.37  0.32  0.01  1.0

data_OsAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.1
_cell_length_c   5.67
_cell_angle_alpha   116.71
_cell_angle_beta   104.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu3
_chemical_formula_sum   'Os1 Au3'
_cell_volume   68.28
_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
  Os  Os0  1  0.0  0.12  0.12  1.0
  Au  Au1  1  0.56  1.0  1.0  1.0
  Au  Au2  1  0.88  0.07  0.07  1.0
  Au  Au3  1  0.95  0.31  0.94  1.0

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