data_Re2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2OsAu
_chemical_formula_sum   'Re2 Os1 Au1'
_cell_volume   61.28
_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
  Re  Re2  1  0.0  0.33  0.41  1.0
  Re  Re3  1  0.33  0.0  0.41  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.33  0.33  0.0  1.0

data_Re2OsAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2OsAu
_chemical_formula_sum   'Re4 Os2 Au2'
_cell_volume   122.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Re  Re0  4  0.17  0.17  0.41  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.33  0.0  -0.0  1.0

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