data_ReRu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   130.77
_cell_angle_beta   130.77
_cell_angle_gamma   72.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2Se
_chemical_formula_sum   'Re1 Ru2 Se1'
_cell_volume   58.97
_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  0.0  0.0  0.81  1.0
  Ru  Ru1  1  0.0  0.97  0.91  1.0
  Ru  Ru2  1  0.97  0.0  0.91  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_ReRu2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   126.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReRu2Se
_chemical_formula_sum   'Re2 Ru4 Se2'
_cell_volume   117.95
_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  2  0.19  0.0  0.19  1.0
  Ru  Ru1  4  0.08  0.02  0.06  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Re Ru Ru Se
Re Ru Ru Se 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + + 2 3 + o + 
ReRu2Se is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ReRu2Se clusters. Re(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1) atoms. Both Re(1)-Ru(1) bond lengths are 0.56 Å. Ru(1) is bonded in a distorted single-bond geometry to one Re(1), one Ru(1), and one Se(1) atom. The Ru(1)-Ru(1) bond length is 0.19 Å. The Ru(1)-Se(1) bond length is 0.36 Å. Se(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1) atoms.