data_CrRe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2B
_chemical_formula_sum   'Cr1 Re2 B1'
_cell_volume   48.17
_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
  Cr  Cr1  1  0.44  0.44  0.19  1.0
  Re  Re2  1  0.0  0.0  0.6  1.0
  Re  Re3  1  0.44  0.44  0.77  1.0
  B  B0  1  0.0  0.0  0.99  1.0

data_CrRe2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrRe2B
_chemical_formula_sum   'Cr2 Re4 B2'
_cell_volume   96.33
_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
  Cr  Cr0  2  0.44  0.0  0.19  1.0
  Re  Re1  2  0.0  0.0  0.6  1.0
  Re  Re2  2  0.44  0.0  0.77  1.0
  B  B3  2  0.0  0.0  0.99  1.0

Cr Re Re B
CrRe2B crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 3-coordinate geometry to one Re(2), four equivalent Re(1), and four equivalent B(1) atoms. The Cr(1)-Re(2) bond length is 2.40 Å. There are a spread of Cr(1)-Re(1) bond distances ranging from 2.98-3.31 Å. There are a spread of Cr(1)-B(1) bond distances ranging from 2.13-2.56 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 13-coordinate geometry to four equivalent Cr(1), four equivalent Re(1), four equivalent Re(2), and one B(1) atom. All Re(1)-Re(1) bond lengths are 2.88 Å. There are a spread of Re(1)-Re(2) bond distances ranging from 2.06-2.50 Å. The Re(1)-B(1) bond length is 2.26 Å. In the second Re site, Re(2) is bonded in a 9-coordinate geometry to one Cr(1), four equivalent Re(1), and four equivalent B(1) atoms. There are a spread of Re(2)-B(1) bond distances ranging from 2.17-2.60 Å. B(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Re(1), and four equivalent Re(2) atoms.