data_SnC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.3
_cell_angle_alpha   92.75
_cell_angle_beta   92.75
_cell_angle_gamma   40.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnC3
_chemical_formula_sum   'Sn1 C3'
_cell_volume   49.24
_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  Sn3  1  0.42  0.0  0.64  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.44  0.0  0.26  1.0
  C  C2  1  0.4  0.0  0.03  1.0

data_SnC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.79
_cell_length_c   5.3
_cell_angle_alpha   92.75
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnC3
_chemical_formula_sum   'Sn1 C3'
_cell_volume   49.24
_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  0.0  0.58  0.36  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.56  0.74  1.0
  C  C3  1  0.0  0.6  0.97  1.0

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