data_Re3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3B
_chemical_formula_sum   'Re3 B1'
_cell_volume   52.77
_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  0.51  0.0  0.04  1.0
  Re  Re2  1  0.0  0.0  0.78  1.0
  Re  Re3  1  0.51  0.0  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Re3B
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.76
_cell_length_b   7.56
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   113.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Re3B
_chemical_formula_sum   'Re3 B1'
_cell_volume   52.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.22  0.0  1.0
  Re  Re1  1  0.5  0.49  0.0  1.0
  Re  Re2  1  0.5  0.96  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Re Re Re B
Re3B crystallizes in the triclinic P1 space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a bent 150 degrees geometry to one Re(3) and two equivalent B(1) atoms. The Re(1)-Re(3) bond length is 3.56 Å. There is one shorter (1.40 Å) and one longer (1.44 Å) Re(1)-B(1) bond length. In the second Re site, Re(2) is bonded in a single-bond geometry to two equivalent Re(3) and one B(1) atom. There is one shorter (2.41 Å) and one longer (2.44 Å) Re(2)-Re(3) bond length. The Re(2)-B(1) bond length is 1.67 Å. In the third Re site, Re(3) is bonded in a 9-coordinate geometry to one Re(1), two equivalent Re(2), and six equivalent Re(3) atoms. There are four shorter (2.76 Å) and two longer (3.02 Å) Re(3)-Re(3) bond lengths. B(1) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Re(1) atoms.