data_B3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3C4
_chemical_formula_sum   'B3 C4'
_cell_volume   78.45
_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  0.82  0.42  0.21  1.0
  B  B1  1  0.64  0.0  0.21  1.0
  B  B2  1  0.18  0.42  0.21  1.0
  C  C3  1  0.0  0.0  0.67  1.0
  C  C4  1  0.0  0.0  0.76  1.0
  C  C5  1  0.0  0.89  0.0  1.0
  C  C6  1  0.64  0.95  0.0  1.0

data_B3C4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3C4
_chemical_formula_sum   'B3 C4'
_cell_volume   78.45
_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  0.18  0.42  0.21  1.0
  B  B1  1  0.64  0.0  0.21  1.0
  B  B2  1  0.82  0.42  0.21  1.0
  C  C3  1  -0.0  0.89  -0.0  1.0
  C  C4  1  0.0  0.0  0.67  1.0
  C  C5  1  0.0  0.0  0.76  1.0
  C  C6  1  0.64  0.95  -0.0  1.0

B B B C C C C