data_CrBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBSb2
_chemical_formula_sum   'Cr1 B1 Sb2'
_cell_volume   80.22
_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  0.13  0.13  0.13  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.42  0.42  0.42  1.0
  Sb  Sb3  1  0.71  0.71  0.71  1.0

data_CrBSb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrBSb2
_chemical_formula_sum   'Cr3 B3 Sb6'
_cell_volume   240.67
_cell_formula_units_Z   3
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
  Cr  Cr0  3  0.0  0.0  0.87  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.29  1.0
  Sb  Sb3  3  0.0  0.0  0.58  1.0

Cr B Sb Sb
CrBSb2 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a single-bond geometry to one B(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. The Cr(1)-B(1) bond length is 1.60 Å. All Cr(1)-Sb(1) bond lengths are 2.85 Å. All Cr(1)-Sb(2) bond lengths are 2.99 Å. B(1) is bonded in a single-bond geometry to one Cr(1) and three equivalent Sb(2) atoms. All B(1)-Sb(2) bond lengths are 2.85 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) and four equivalent Sb(2) atoms. There are three shorter (2.85 Å) and one longer (3.42 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to three equivalent Cr(1), three equivalent B(1), and four equivalent Sb(1) atoms.