data_Re2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2B
_chemical_formula_sum   'Re4 B2'
_cell_volume   92.65
_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
  Re  Re2  1  0.49  0.69  0.69  1.0
  Re  Re3  1  0.49  0.49  0.49  1.0
  Re  Re4  1  0.69  0.69  0.49  1.0
  Re  Re5  1  0.69  0.49  0.69  1.0
  B  B0  1  0.8  0.8  0.8  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Re2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re2B
_chemical_formula_sum   'Re12 B6'
_cell_volume   277.96
_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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Re  Re0  9  0.14  0.07  0.37  1.0
  Re  Re1  3  0.0  0.0  0.51  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  B  B3  3  0.0  0.0  0.2  1.0

Re Re Re Re B B
Re2B crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Re(1), one B(1), and one B(2) atom. The Re(1)-Re(2) bond length is 1.80 Å. Both Re(1)-Re(1) bond lengths are 1.04 Å. The Re(1)-B(1) bond length is 2.20 Å. The Re(1)-B(2) bond length is 2.39 Å. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent B(1) atoms. All Re(2)-B(1) bond lengths are 2.95 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. In the second B site, B(2) is bonded in a trigonal non-coplanar geometry to three equivalent Re(1) atoms.