data_ReB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB3
_chemical_formula_sum   'Re1 B3'
_cell_volume   33.88
_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  Re3  1  0.0  0.0  0.14  1.0
  B  B0  1  0.41  0.41  0.41  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.41  0.41  0.87  1.0

data_ReB3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReB3
_chemical_formula_sum   'Re2 B6'
_cell_volume   67.77
_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  0.14  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.41  0.0  0.41  1.0
  B  B3  2  0.41  0.0  0.87  1.0

Re B B B
ReB3 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a single-bond geometry to one B(2) and four equivalent B(1) atoms. The Re(1)-B(2) bond length is 0.61 Å. There are a spread of Re(1)-B(1) bond distances ranging from 1.98-2.63 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to four equivalent Re(1) and two equivalent B(3) atoms. There is one shorter (1.98 Å) and one longer (2.31 Å) B(1)-B(3) bond length. In the second B site, B(2) is bonded in a single-bond geometry to one Re(1) and three equivalent B(3) atoms. There is one shorter (1.70 Å) and two longer (2.09 Å) B(2)-B(3) bond lengths. In the third B site, B(3) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms.