data_AgC2S2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   23.97
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   114.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgC2S2N3
_chemical_formula_sum   'Ag4 C8 S8 N12'
_cell_volume   690.12
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.8  0.73  0.83  1.0
  Ag  Ag1  1  0.42  0.23  0.27  1.0
  Ag  Ag2  1  0.01  0.24  0.3  1.0
  Ag  Ag3  1  0.4  0.74  0.86  1.0
  C  C4  1  0.59  0.58  0.9  1.0
  C  C5  1  0.2  0.38  0.33  1.0
  C  C6  1  0.22  0.4  0.23  1.0
  C  C7  1  0.61  0.59  0.79  1.0
  C  C8  1  0.8  0.55  0.09  1.0
  C  C9  1  0.41  0.41  0.53  1.0
  C  C10  1  0.02  0.42  0.04  1.0
  C  C11  1  0.4  0.56  0.6  1.0
  S  S12  1  0.89  0.43  0.68  1.0
  S  S13  1  0.5  0.53  0.12  1.0
  S  S14  1  0.92  0.54  0.44  1.0
  S  S15  1  0.31  0.45  0.01  1.0
  S  S16  1  0.09  0.95  0.22  1.0
  S  S17  1  0.7  0.01  0.66  1.0
  S  S18  1  0.73  0.03  0.91  1.0
  S  S19  1  0.11  0.96  0.47  1.0
  N  N20  1  0.1  0.9  0.72  1.0
  N  N21  1  0.71  0.06  0.16  1.0
  N  N22  1  0.71  0.08  0.4  1.0
  N  N23  1  0.1  0.91  0.97  1.0
  N  N24  1  0.73  0.59  0.59  1.0
  N  N25  1  0.12  0.37  0.16  1.0
  N  N26  1  0.08  0.38  0.53  1.0
  N  N27  1  0.69  0.6  0.97  1.0
  N  N28  1  0.88  0.44  0.18  1.0
  N  N29  1  0.27  0.52  0.74  1.0
  N  N30  1  0.93  0.53  0.95  1.0
  N  N31  1  0.55  0.46  0.38  1.0

data_AgC2S2N3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.04
_cell_length_b   7.17
_cell_length_c   23.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgC2S2N3
_chemical_formula_sum   'Ag4 C8 S8 N12'
_cell_volume   690.12
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.13  0.23  0.76  1.0
  Ag  Ag1  2  0.31  0.8  0.26  1.0
  C  C2  2  0.03  0.73  0.1  1.0
  C  C3  2  0.04  0.54  0.08  1.0
  C  C4  2  0.13  0.03  0.06  1.0
  C  C5  2  0.15  0.83  0.09  1.0
  S  S6  2  0.02  0.84  0.54  1.0
  S  S7  2  0.2  0.41  0.47  1.0
  S  S8  2  0.36  0.38  0.05  1.0
  S  S9  2  0.46  0.06  0.04  1.0
  N  N10  2  0.12  0.91  0.12  1.0
  N  N11  2  0.14  0.12  0.96  1.0
  N  N12  2  0.29  0.1  0.58  1.0
  N  N13  2  0.3  0.47  0.9  1.0
  N  N14  2  0.32  0.68  0.03  1.0
  N  N15  2  0.46  0.66  0.41  1.0

Ag Ag Ag Ag C C C C C C C C S S S S S S S S N N N N N N N N N N N N
Ag Ag Ag Ag C C C C C C C C S S S S S S S S N N N N N N N N N N N N 0 3 o o o 1 2 o o o 4 7 o o o 4 27 o o o 4 8 o o + 4 29 o o o 4 30 o o o 5 6 o o o 5 9 o o o 5 26 o o o 5 31 o o o 6 25 o o o 6 10 o o o 6 28 - o o 6 31 o o o 7 11 o o o 7 24 o o o 7 29 o o o 8 13 o o o 8 27 o o - 8 30 o o - 9 26 o o o 9 31 o o o 9 12 o o o 10 28 - o o 10 25 o o o 10 15 o o o 11 29 o o o 11 24 o o o 11 14 - o o 12 31 o o o 12 26 + o o 12 15 + o + 13 14 o o o 14 24 o o o 14 29 + o o 16 23 o o - 16 19 o o o 17 18 o o o 18 21 o o + 20 23 o o o 21 22 o o o 