data_BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   7.54
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC3
_chemical_formula_sum   'B2 C6'
_cell_volume   157.78
_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  0.0  0.0  0.33  1.0
  B  B1  1  0.68  0.77  0.58  1.0
  C  C2  1  0.0  0.77  0.58  1.0
  C  C3  1  0.68  0.0  0.32  1.0
  C  C4  1  0.96  0.0  0.32  1.0
  C  C5  1  0.4  0.0  0.32  1.0
  C  C6  1  0.28  0.77  0.58  1.0
  C  C7  1  0.07  0.77  0.58  1.0

data_BC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.36
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC3
_chemical_formula_sum   'B2 C6'
_cell_volume   157.78
_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  0.33  0.0  0.0  1.0
  B  B1  1  0.58  0.68  0.77  1.0
  C  C2  1  0.32  0.68  0.0  1.0
  C  C3  1  0.32  0.4  0.0  1.0
  C  C4  1  0.32  0.96  0.0  1.0
  C  C5  1  0.58  0.07  0.77  1.0
  C  C6  1  0.58  0.28  0.77  1.0
  C  C7  1  0.58  0.0  0.77  1.0

B B C C C C C C