data_Re2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   148.27
_cell_angle_beta   129.85
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2RuCl
_chemical_formula_sum   'Re2 Ru1 Cl1'
_cell_volume   58.32
_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  0.44  0.0  0.08  1.0
  Re  Re2  1  0.0  0.23  0.46  1.0
  Ru  Ru3  1  0.0  0.0  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.46
_cell_length_c   5.26
_cell_angle_alpha   115.07
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2RuCl
_chemical_formula_sum   'Re2 Ru1 Cl1'
_cell_volume   58.32
_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  0.08  0.64  1.0
  Re  Re1  1  0.77  0.23  0.23  1.0
  Ru  Ru2  1  0.0  0.54  0.54  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Re Ru Cl
Re Re Ru Cl 0 2 o o - 0 2 + o o 0 3 o o o 0 1 + o o 1 3 o o o 1 2 o o o 
Re2RuCl crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to two equivalent Ru(1) and one Cl(1) atom. There is one shorter (2.23 Å) and one longer (2.33 Å) Re(1)-Ru(1) bond length. The Re(1)-Cl(1) bond length is 2.06 Å. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one Ru(1) and two equivalent Cl(1) atoms. The Re(2)-Ru(1) bond length is 1.59 Å. There is one shorter (1.54 Å) and one longer (2.22 Å) Re(2)-Cl(1) bond length. Ru(1) is bonded in a 4-coordinate geometry to one Re(2), two equivalent Re(1), and one Cl(1) atom. The Ru(1)-Cl(1) bond length is 2.40 Å. Cl(1) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Re(2), and one Ru(1) atom.