data_ReRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   21.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu5
_chemical_formula_sum   'Re1 Ru5'
_cell_volume   84.24
_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  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.16  1.0
  Ru  Ru2  1  0.16  0.0  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.9  1.0
  Ru  Ru4  1  0.16  0.0  0.5  1.0
  Ru  Ru5  1  0.0  0.0  0.65  1.0

data_ReRu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.32
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu5
_chemical_formula_sum   'Re1 Ru5'
_cell_volume   84.24
_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  0.79  0.16  0.79  1.0
  Ru  Ru1  1  0.1  0.0  0.1  1.0
  Ru  Ru2  1  0.25  0.16  0.25  1.0
  Ru  Ru3  1  0.35  0.0  0.35  1.0
  Ru  Ru4  1  0.5  0.16  0.5  1.0
  Ru  Ru5  1  0.84  0.0  0.84  1.0

Re Ru Ru Ru Ru Ru
Re Ru Ru Ru Ru Ru 0 1 o o o 2 5 o o o 2 3 o o o 4 5 o o o 