data_ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.75
_cell_angle_alpha   99.69
_cell_angle_beta   99.69
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu
_chemical_formula_sum   'Re2 Ru2'
_cell_volume   57.76
_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
  Re  Re0  1  0.81  0.0  0.7  1.0
  Re  Re1  1  0.4  0.0  0.97  1.0
  Ru  Ru2  1  0.3  0.0  0.62  1.0
  Ru  Ru3  1  0.91  0.0  0.05  1.0

data_ReRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.73
_cell_length_b   4.72
_cell_length_c   4.75
_cell_angle_alpha   99.69
_cell_angle_beta   90.0
_cell_angle_gamma   106.83
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReRu
_chemical_formula_sum   'Re2 Ru2'
_cell_volume   57.76
_cell_formula_units_Z   2
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
  Re  Re0  2  0.0  0.21  0.87  1.0
  Ru  Ru1  2  0.0  0.31  0.22  1.0

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