data_ReOsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOsRu2
_chemical_formula_sum   'Re1 Os1 Ru2'
_cell_volume   57.12
_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  Re1  1  0.0  0.0  0.84  1.0
  Os  Os0  1  0.93  0.0  0.92  1.0
  Ru  Ru2  1  0.0  0.93  0.92  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_ReOsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOsRu2
_chemical_formula_sum   'Re1 Os1 Ru2'
_cell_volume   57.12
_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  Re0  1  0.16  0.0  0.16  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.01  0.93  0.01  1.0
  Os  Os3  1  0.08  0.0  0.01  1.0

Re Os Ru Ru
Re Os Ru Ru 0 1 - o o 0 2 o - o 0 3 o o + 1 3 + o + 2 3 o + + 