data_Ru3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Cl
_chemical_formula_sum   'Ru6 Cl2'
_cell_volume   122.85
_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
  Ru  Ru2  1  0.24  0.0  0.49  1.0
  Ru  Ru3  1  0.73  0.0  0.49  1.0
  Ru  Ru4  1  0.49  0.24  0.0  1.0
  Ru  Ru5  1  0.49  0.73  0.0  1.0
  Ru  Ru6  1  0.0  0.49  0.73  1.0
  Ru  Ru7  1  0.0  0.49  0.24  1.0
  Cl  Cl0  1  0.49  0.49  0.49  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ru3Cl
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ru3Cl
_chemical_formula_sum   'Ru18 Cl6'
_cell_volume   368.54
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ru  Ru0  9  0.0  0.76  0.24  1.0
  Ru  Ru1  9  0.08  0.4  0.4  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.49  1.0

Ru Ru Ru Ru Ru Ru Cl Cl
Ru3Cl crystallizes in the trigonal R3 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to two equivalent Ru(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There is one shorter (2.41 Å) and one longer (2.56 Å) Ru(1)-Ru(2) bond length. There is one shorter (2.70 Å) and one longer (2.83 Å) Ru(1)-Cl(1) bond length. There is one shorter (2.70 Å) and one longer (2.83 Å) Ru(1)-Cl(2) bond length. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. There is one shorter (2.70 Å) and one longer (2.83 Å) Ru(2)-Cl(1) bond length. There is one shorter (2.77 Å) and one longer (2.89 Å) Ru(2)-Cl(2) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form a mixture of edge and face-sharing ClRu12 cuboctahedra. In the second Cl site, Cl(2) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form a mixture of edge and face-sharing ClRu12 cuboctahedra.