data_SnC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnC5
_chemical_formula_sum   'Sn1 C5'
_cell_volume   65.09
_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  Sn5  1  0.96  0.0  0.28  1.0
  C  C0  1  0.96  0.88  0.0  1.0
  C  C1  1  0.96  0.21  0.28  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.96  0.79  0.28  1.0
  C  C4  1  0.96  0.12  0.0  1.0

data_SnC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   110.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnC5
_chemical_formula_sum   'Sn1 C5'
_cell_volume   65.09
_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  Sn0  1  0.28  0.96  0.0  1.0
  C  C1  1  -0.0  0.96  0.88  1.0
  C  C2  1  -0.0  0.96  0.12  1.0
  C  C3  1  0.0  0.0  0.0  1.0
  C  C4  1  0.28  0.96  0.21  1.0
  C  C5  1  0.28  0.96  0.79  1.0

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