data_Os2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2Au
_chemical_formula_sum   'Os4 Au2'
_cell_volume   93.82
_cell_formula_units_Z   2
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  Os2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.7  1.0
  Os  Os4  1  0.0  0.59  0.35  1.0
  Os  Os5  1  0.24  0.29  0.05  1.0
  Au  Au0  1  0.0  0.59  0.05  1.0
  Au  Au1  1  0.24  0.29  0.35  1.0

data_Os2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2Au
_chemical_formula_sum   'Os4 Au2'
_cell_volume   93.82
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.7  1.0
  Os  Os2  1  0.0  0.59  0.35  1.0
  Os  Os3  1  0.24  0.29  0.05  1.0
  Au  Au4  1  0.0  0.59  0.05  1.0
  Au  Au5  1  0.24  0.29  0.35  1.0

Os Os Os Os Au Au
Os Os Os Os Au Au 0 3 o o o 0 1 o o - 0 4 o - o 2 4 o o o 3 5 o o o 