data_B3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   160.17
_cell_angle_beta   160.17
_cell_angle_gamma   28.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3C
_chemical_formula_sum   'B3 C1'
_cell_volume   39.5
_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  0.21  0.4  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.21  0.0  0.4  1.0
  C  C3  1  0.0  0.0  0.79  1.0

data_B3C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B3C
_chemical_formula_sum   'B6 C2'
_cell_volume   79.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.1  0.1  0.81  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  C  C2  2  0.0  0.0  0.21  1.0

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