data_Pb3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb3C
_chemical_formula_sum   'Pb6 C2'
_cell_volume   228.52
_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
  Pb  Pb2  1  0.66  0.05  0.54  1.0
  Pb  Pb3  1  0.34  0.05  0.54  1.0
  Pb  Pb4  1  0.0  0.18  0.54  1.0
  Pb  Pb5  1  0.75  0.59  0.85  1.0
  Pb  Pb6  1  0.07  0.59  0.85  1.0
  Pb  Pb7  1  0.41  0.46  0.85  1.0
  C  C0  1  0.41  0.55  0.54  1.0
  C  C1  1  0.0  0.09  0.85  1.0

data_Pb3C
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.39
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pb3C
_chemical_formula_sum   'Pb6 C2'
_cell_volume   228.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Pb  Pb0  2  0.35  0.14  0.73  1.0
  Pb  Pb1  2  0.35  0.45  0.73  1.0
  Pb  Pb2  2  0.35  0.79  0.86  1.0
  C  C3  2  0.35  0.21  0.23  1.0

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