data_ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   56.64
_cell_angle_beta   56.64
_cell_angle_gamma   56.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu
_chemical_formula_sum   'Re2 Ru2'
_cell_volume   61.63
_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  0.0  0.0  0.5  1.0
  Re  Re1  1  0.0  0.0  0.93  1.0
  Ru  Ru2  1  0.0  0.0  0.07  1.0
  Ru  Ru3  1  0.0  0.0  0.36  1.0

data_ReRu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.49
_cell_length_b   4.32
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   123.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   ReRu
_chemical_formula_sum   'Re4 Ru4'
_cell_volume   123.27
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  -0.0  0.0  0.28  1.0
  Ru  Ru1  4  0.0  0.0  0.15  1.0

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