data_S5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   25.92
_cell_angle_alpha   102.18
_cell_angle_beta   102.18
_cell_angle_gamma   74.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   S5N6
_chemical_formula_sum   'S5 N6'
_cell_volume   905.25
_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
  S  S0  1  0.34  0.78  0.01  1.0
  S  S1  1  0.37  0.38  0.05  1.0
  S  S2  1  0.97  0.03  0.08  1.0
  S  S3  1  0.63  0.64  0.1  1.0
  S  S4  1  0.22  0.66  0.14  1.0
  N  N5  1  0.31  0.52  1.0  1.0
  N  N6  1  0.09  0.95  0.03  1.0
  N  N7  1  0.55  0.8  0.06  1.0
  N  N8  1  0.2  0.45  0.09  1.0
  N  N9  1  0.05  0.91  0.13  1.0
  N  N10  1  0.49  0.69  0.15  1.0

S S S S S N N N N N N 0 5 o o - 0 6 o o o 0 7 o o o 1 5 o o - 1 8 o o o 2 6 + - o 2 9 + - o 3 7 o o o 3 10 o o o 4 8 o o o 4 9 o o o 4 10 o o o 
data_S5N6
_symmetry_space_group_name_H-M   C2
_cell_length_a   9.73
_cell_length_b   7.45
_cell_length_c   25.15
_cell_angle_alpha   90.0
_cell_angle_beta   96.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   S5N6
_chemical_formula_sum   'S10 N12'
_cell_volume   1810.51
_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
  S  S0  4  0.1  0.42  0.47  1.0
  S  S1  4  0.13  0.21  0.57  1.0
  S  S2  2  0.0  0.9  0.5  1.0
  N  N3  4  0.01  0.32  0.42  1.0
  N  N4  4  0.07  0.99  0.55  1.0
  N  N5  4  0.19  0.3  0.52  1.0
