data_Sn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   22.62
_cell_angle_beta   22.62
_cell_angle_gamma   22.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3C
_chemical_formula_sum   'Sn3 C1'
_cell_volume   86.65
_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  Sn1  1  0.0  0.0  0.14  1.0
  Sn  Sn2  1  0.0  0.0  0.77  1.0
  Sn  Sn3  1  0.0  0.0  0.4  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Sn3C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn3C
_chemical_formula_sum   'Sn6 C2'
_cell_volume   173.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.23  1.0
  Sn  Sn1  2  0.0  0.0  0.6  1.0
  Sn  Sn2  2  0.0  0.0  0.86  1.0
  C  C3  2  0.0  0.0  0.0  1.0

Sn Sn Sn C
Sn Sn Sn C 0 3 o o o 0 2 o o o 1 3 o o + 