data_BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC3
_chemical_formula_sum   'B2 C6'
_cell_volume   86.12
_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
  B  B0  1  0.04  0.71  0.84  1.0
  B  B1  1  0.04  0.29  0.52  1.0
  C  C2  1  0.04  0.89  0.52  1.0
  C  C3  1  0.04  0.11  0.84  1.0
  C  C4  1  0.65  0.72  0.52  1.0
  C  C5  1  0.43  0.28  0.84  1.0
  C  C6  1  0.43  0.72  0.52  1.0
  C  C7  1  0.65  0.28  0.84  1.0

data_BC3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.36
_cell_length_b   4.09
_cell_length_c   6.6
_cell_angle_alpha   108.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BC3
_chemical_formula_sum   'B2 C6'
_cell_volume   86.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  B  B0  2  0.34  0.71  0.71  1.0
  C  C1  2  0.34  0.11  0.11  1.0
  C  C2  2  0.34  0.28  0.67  1.0
  C  C3  2  0.34  0.28  0.89  1.0

B B C C C C C C
B B C C C C C C 0 7 - o o 0 2 o o o 1 3 o o o 1 6 o o o 2 4 - o o 2 3 o + o 2 5 o + o 3 4 - - o 3 5 o o o 4 6 o o o 5 7 o o o 