data_HS7N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.94
_cell_length_c   28.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HS7N
_chemical_formula_sum   'H2 S14 N2'
_cell_volume   1684.96
_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
  H  H0  1  0.21  0.41  0.12  1.0
  H  H1  1  0.29  0.91  0.12  1.0
  S  S2  1  0.01  0.71  0.04  1.0
  S  S3  1  0.49  0.21  0.04  1.0
  S  S4  1  0.84  0.51  0.06  1.0
  S  S5  1  0.66  0.01  0.06  1.0
  S  S6  1  0.27  0.68  0.07  1.0
  S  S7  1  0.23  0.18  0.07  1.0
  S  S8  1  0.7  0.59  0.12  1.0
  S  S9  1  0.8  0.09  0.12  1.0
  S  S10  1  0.27  0.68  0.17  1.0
  S  S11  1  0.23  0.18  0.17  1.0
  S  S12  1  0.66  0.01  0.18  1.0
  S  S13  1  0.84  0.51  0.18  1.0
  S  S14  1  0.49  0.21  0.2  1.0
  S  S15  1  0.01  0.71  0.2  1.0
  N  N16  1  0.28  0.78  0.12  1.0
  N  N17  1  0.22  0.28  0.12  1.0

H H S S S S S S S S S S S S S S N N 0 17 o o o 1 16 o o o 2 4 - o o 2 6 o o o 3 7 o o o 3 5 o o o 4 8 o o o 5 9 o o o 6 16 o o o 7 17 o o o 8 13 o o o 9 12 o o o 10 16 o o o 10 15 o o o 11 17 o o o 11 14 o o o 12 14 o o o 13 15 + o o 
data_HS7N
_symmetry_space_group_name_H-M   Pmc2_1
_cell_length_a   28.85
_cell_length_b   7.35
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   26
_chemical_formula_structural   HS7N
_chemical_formula_sum   'H2 S14 N2'
_cell_volume   1684.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x, y, z'
  4  'x, -y, z+1/2'
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
  H  H0  2  0.0  0.04  0.91  1.0
  S  S1  4  0.05  0.02  0.68  1.0
  S  S2  4  0.06  0.41  0.01  1.0
  S  S3  4  0.08  0.24  0.21  1.0
  S  S4  2  0.0  0.45  0.59  1.0
  N  N5  2  0.0  0.03  0.78  1.0
