data_BC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC2
_chemical_formula_sum   'B3 C6'
_cell_volume   66.81
_cell_formula_units_Z   3
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  0.0  0.17  0.28  1.0
  B  B1  1  0.74  0.58  0.28  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.21  0.0  0.28  1.0
  C  C4  1  0.4  0.78  0.28  1.0
  C  C5  1  0.14  0.97  0.28  1.0
  C  C6  1  0.96  0.0  0.0  1.0
  C  C7  1  0.02  0.43  0.0  1.0
  C  C8  1  0.76  0.32  0.0  1.0

data_BC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC2
_chemical_formula_sum   'B3 C6'
_cell_volume   66.81
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  B  B1  1  0.28  0.0  0.17  1.0
  B  B2  1  0.28  0.74  0.58  1.0
  C  C3  1  0.0  0.02  0.43  1.0
  C  C4  1  0.0  0.76  0.32  1.0
  C  C5  1  0.0  0.96  0.0  1.0
  C  C6  1  0.28  0.14  0.97  1.0
  C  C7  1  0.28  0.21  0.0  1.0
  C  C8  1  0.28  0.4  0.78  1.0

B B B C C C C C C
B B B C C C C C C 0 2 o o o 0 6 - o o 1 8 o o o 1 2 + + o 1 6 o + o 2 6 - o o 3 5 o - o 3 4 o - o 4 7 o o o 4 5 o o o 7 8 - o o 