data_BC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.03
_cell_angle_alpha   120.39
_cell_angle_beta   120.39
_cell_angle_gamma   18.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC2
_chemical_formula_sum   'B2 C4'
_cell_volume   52.34
_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  0.03  0.0  0.52  1.0
  B  B1  1  0.11  0.0  0.65  1.0
  C  C2  1  0.36  0.0  0.09  1.0
  C  C3  1  0.45  0.0  0.65  1.0
  C  C4  1  0.78  0.0  0.09  1.0
  C  C5  1  0.69  0.0  0.53  1.0

data_BC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   1.8
_cell_length_b   5.69
_cell_length_c   5.83
_cell_angle_alpha   63.1
_cell_angle_beta   81.11
_cell_angle_gamma   80.89
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BC2
_chemical_formula_sum   'B2 C4'
_cell_volume   52.34
_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  0.0  0.02  0.44  1.0
  C  C1  2  0.0  0.21  1.0  1.0
  C  C2  2  0.0  0.32  0.56  1.0

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