data_BiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiC3
_chemical_formula_sum   'Bi2 C6'
_cell_volume   102.01
_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
  Bi  Bi0  1  0.34  0.34  0.34  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.17  0.0  0.34  1.0
  C  C3  1  0.5  0.0  0.34  1.0
  C  C4  1  0.34  0.17  0.0  1.0
  C  C5  1  0.34  0.5  0.0  1.0
  C  C6  1  0.0  0.34  0.5  1.0
  C  C7  1  0.0  0.34  0.17  1.0

data_BiC3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   BiC3
_chemical_formula_sum   'Bi6 C18'
_cell_volume   306.04
_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  '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
  Bi  Bi0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.34  1.0
  C  C2  9  0.0  0.83  0.17  1.0
  C  C3  9  0.05  0.44  0.95  1.0

Bi Bi C C C C C C
Bi Bi C C C C C C 0 2 o o o 0 7 o o o 0 6 o o o 0 4 o o o 0 3 o o o 0 5 o o o 1 7 o o o 1 4 o o o 1 2 o o o 2 7 o o o 2 6 o o o 2 4 o o o 2 3 o o o 3 4 o o o 4 7 o o o 4 5 o o o 5 7 o o o 6 7 o o o 
C3Bi crystallizes in the trigonal R3 space group. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent C(1), two equivalent C(2), one Bi(1), and one Bi(2) atom. Both C(1)-C(1) bond lengths are 1.92 Å. There is one shorter (1.57 Å) and one longer (1.92 Å) C(1)-C(2) bond length. The C(1)-Bi(1) bond length is 1.76 Å. The C(1)-Bi(2) bond length is 1.76 Å. In the second C site, C(2) is bonded in a 4-coordinate geometry to two equivalent C(1), one Bi(1), and one Bi(2) atom. The C(2)-Bi(1) bond length is 1.76 Å. The C(2)-Bi(2) bond length is 2.80 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms.