data_Re3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Cl
_chemical_formula_sum   'Re3 Cl1'
_cell_volume   62.88
_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  0.43  0.0  0.77  1.0
  Re  Re2  1  0.0  0.0  0.54  1.0
  Re  Re3  1  0.43  0.0  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.81
_cell_length_b   4.93
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re3Cl
_chemical_formula_sum   'Re6 Cl2'
_cell_volume   125.78
_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  0.0  0.0  0.54  1.0
  Re  Re1  2  0.43  0.0  0.31  1.0
  Re  Re2  2  0.43  0.0  0.77  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Re Re Re Cl
Re Re Re Cl 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 0 1 + o o 0 3 o o + 0 3 + o + 0 3 o - + 1 1 + + o 1 1 o + o 1 1 + o o 1 2 - o o 1 2 o o o 1 2 o + o 1 2 - - o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
Re3Cl crystallizes in the triclinic P1 space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to two equivalent Re(2) and two equivalent Cl(1) atoms. There is one shorter (2.40 Å) and one longer (2.62 Å) Re(1)-Re(2) bond length. There is one shorter (2.43 Å) and one longer (2.64 Å) Re(1)-Cl(1) bond length. In the second Re site, Re(2) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Re(3), and six equivalent Re(2) atoms. There is one shorter (2.40 Å) and one longer (2.62 Å) Re(2)-Re(3) bond length. There are four shorter (2.81 Å) and two longer (2.86 Å) Re(2)-Re(2) bond lengths. In the third Re site, Re(3) is bonded in a 10-coordinate geometry to two equivalent Re(2), six equivalent Re(3), and two equivalent Cl(1) atoms. There are four shorter (2.81 Å) and two longer (2.86 Å) Re(3)-Re(3) bond lengths. There is one shorter (3.07 Å) and one longer (3.24 Å) Re(3)-Cl(1) bond length. Cl(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and two equivalent Re(3) atoms.