data_Sn12C17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn12C17
_chemical_formula_sum   'Sn12 C17'
_cell_volume   457.71
_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
  Sn  Sn17  1  0.13  0.13  0.39  1.0
  Sn  Sn18  1  0.72  0.72  0.53  1.0
  Sn  Sn19  1  0.87  0.13  0.32  1.0
  Sn  Sn20  1  0.13  0.87  0.32  1.0
  Sn  Sn21  1  0.39  0.13  0.13  1.0
  Sn  Sn22  1  0.53  0.72  0.72  1.0
  Sn  Sn23  1  0.32  0.87  0.13  1.0
  Sn  Sn24  1  0.32  0.13  0.87  1.0
  Sn  Sn25  1  0.13  0.39  0.13  1.0
  Sn  Sn26  1  0.72  0.53  0.72  1.0
  Sn  Sn27  1  0.13  0.32  0.87  1.0
  Sn  Sn28  1  0.87  0.32  0.13  1.0
  C  C0  1  0.8  0.8  0.06  1.0
  C  C1  1  0.05  0.05  0.92  1.0
  C  C2  1  0.05  0.95  0.79  1.0
  C  C3  1  0.95  0.05  0.79  1.0
  C  C4  1  0.06  0.8  0.8  1.0
  C  C5  1  0.92  0.05  0.05  1.0
  C  C6  1  0.79  0.05  0.95  1.0
  C  C7  1  0.79  0.95  0.05  1.0
  C  C8  1  0.8  0.06  0.8  1.0
  C  C9  1  0.05  0.92  0.05  1.0
  C  C10  1  0.95  0.79  0.05  1.0
  C  C11  1  0.05  0.79  0.95  1.0
  C  C12  1  0.31  0.31  0.31  1.0
  C  C13  1  0.54  0.54  0.46  1.0
  C  C14  1  0.54  0.46  0.54  1.0
  C  C15  1  0.46  0.54  0.54  1.0
  C  C16  1  0.0  0.0  0.0  1.0

data_Sn12C17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.73
_cell_length_b   13.73
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn12C17
_chemical_formula_sum   'Sn36 C51'
_cell_volume   1373.14
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Sn  Sn0  18  0.03  0.24  0.11  1.0
  Sn  Sn1  9  0.06  0.13  0.66  1.0
  Sn  Sn2  9  0.17  0.09  0.22  1.0
  C  C3  18  0.02  0.14  0.93  1.0
  C  C4  9  0.03  0.06  0.51  1.0
  C  C5  9  0.05  0.09  0.01  1.0
  C  C6  9  0.17  0.09  0.89  1.0
  C  C7  3  0.0  0.0  0.0  1.0
  C  C8  3  0.0  0.0  0.31  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn C C C C C C C C C C C C C C C C C