data_BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   2.42
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC3
_chemical_formula_sum   'B1 C3'
_cell_volume   24.26
_cell_formula_units_Z   1
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
  C  C1  1  0.32  0.21  0.03  1.0
  C  C2  1  0.23  0.0  0.57  1.0
  C  C3  1  0.14  0.21  0.11  1.0

data_BC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   3.18
_cell_length_c   3.23
_cell_angle_alpha   102.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC3
_chemical_formula_sum   'B1 C3'
_cell_volume   24.26
_cell_formula_units_Z   1
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
  C  C1  1  0.0  0.77  0.43  1.0
  C  C2  1  0.79  0.68  0.97  1.0
  C  C3  1  0.79  0.86  0.89  1.0

B C C C
B C C C 0 3 o o o 0 2 o o o 0 2 o o - 1 3 o o o 1 2 o o - 2 3 o o o 