data_SbC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbC2
_chemical_formula_sum   'Sb4 C8'
_cell_volume   150.47
_cell_formula_units_Z   4
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
  Sb  Sb8  1  0.66  0.0  0.66  1.0
  Sb  Sb9  1  0.0  0.66  0.66  1.0
  Sb  Sb10  1  0.0  0.0  0.0  1.0
  Sb  Sb11  1  0.66  0.66  0.0  1.0
  C  C0  1  0.4  0.06  0.92  1.0
  C  C1  1  0.92  0.26  0.4  1.0
  C  C2  1  0.06  0.92  0.4  1.0
  C  C3  1  0.26  0.4  0.92  1.0
  C  C4  1  0.92  0.4  0.06  1.0
  C  C5  1  0.4  0.92  0.26  1.0
  C  C6  1  0.26  0.26  0.26  1.0
  C  C7  1  0.06  0.06  0.06  1.0

data_SbC2
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SbC2
_chemical_formula_sum   'Sb12 C24'
_cell_volume   451.41
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Sb  Sb0  9  0.22  0.78  0.44  1.0
  Sb  Sb1  3  0.0  0.0  0.0  1.0
  C  C2  9  0.06  0.46  0.86  1.0
  C  C3  9  0.13  0.73  0.79  1.0
  C  C4  3  0.0  0.0  0.06  1.0
  C  C5  3  0.0  0.0  0.26  1.0

Sb Sb Sb Sb C C C C C C C C
CSbC crystallizes in the trigonal R3 space group. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to two equivalent C(2) and one Sb(1) atom. Both C(1)-C(2) bond lengths are 1.96 Å. The C(1)-Sb(1) bond length is 1.98 Å. In the second C site, C(2) is bonded in a 5-coordinate geometry to one C(3), two equivalent C(1), and two equivalent Sb(1) atoms. The C(2)-C(3) bond length is 1.96 Å. There is one shorter (2.39 Å) and one longer (2.57 Å) C(2)-Sb(1) bond length. In the third C site, C(3) is bonded in a distorted tetrahedral geometry to one C(4) and three equivalent C(2) atoms. The C(3)-C(4) bond length is 1.85 Å. In the fourth C site, C(4) is bonded in a single-bond geometry to one C(3) and one Sb(2) atom. The C(4)-Sb(2) bond length is 0.54 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one C(4) atom.