data_Sn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   8.85
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3C
_chemical_formula_sum   'Sn6 C2'
_cell_volume   203.22
_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
  Sn  Sn2  1  0.88  0.0  0.28  1.0
  Sn  Sn3  1  0.0  0.42  0.84  1.0
  Sn  Sn4  1  0.0  0.05  0.09  1.0
  Sn  Sn5  1  0.0  0.8  0.09  1.0
  Sn  Sn6  1  0.88  0.47  0.02  1.0
  Sn  Sn7  1  0.88  0.38  0.02  1.0
  C  C0  1  0.0  0.0  0.97  1.0
  C  C1  1  0.88  0.42  0.14  1.0

data_Sn3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.11
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3C
_chemical_formula_sum   'Sn6 C2'
_cell_volume   203.22
_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
  Sn  Sn0  1  -0.0  0.91  0.95  1.0
  Sn  Sn1  1  -0.0  0.91  0.2  1.0
  Sn  Sn2  1  -0.0  0.16  0.58  1.0
  Sn  Sn3  1  0.12  0.72  0.0  1.0
  Sn  Sn4  1  0.12  0.98  0.53  1.0
  Sn  Sn5  1  0.12  0.98  0.62  1.0
  C  C6  1  0.0  0.03  0.0  1.0
  C  C7  1  0.12  0.86  0.58  1.0

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