data_AsS4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   12.15
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS4N3
_chemical_formula_sum   'As4 S16 N12'
_cell_volume   829.15
_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
  As  As0  1  0.44  0.04  0.35  1.0
  As  As1  1  0.0  0.04  0.62  1.0
  As  As2  1  0.43  0.11  0.56  1.0
  As  As3  1  0.87  0.11  0.29  1.0
  S  S4  1  0.6  0.04  0.63  1.0
  S  S5  1  0.18  0.04  0.39  1.0
  S  S6  1  0.28  0.11  0.28  1.0
  S  S7  1  0.7  0.11  0.52  1.0
  S  S8  1  0.7  0.04  0.44  1.0
  S  S9  1  0.15  0.04  0.53  1.0
  S  S10  1  0.17  0.11  0.47  1.0
  S  S11  1  0.72  0.11  0.38  1.0
  S  S12  1  0.1  0.85  0.03  1.0
  S  S13  1  0.68  0.37  0.79  1.0
  S  S14  1  0.78  0.77  0.88  1.0
  S  S15  1  0.19  0.3  0.12  1.0
  S  S16  1  0.78  0.3  0.88  1.0
  S  S17  1  0.19  0.77  0.12  1.0
  S  S18  1  0.1  0.37  0.03  1.0
  S  S19  1  0.68  0.85  0.79  1.0
  N  N20  1  0.72  0.04  0.81  1.0
  N  N21  1  0.16  0.04  0.16  1.0
  N  N22  1  0.16  0.11  0.1  1.0
  N  N23  1  0.72  0.11  0.75  1.0
  N  N24  1  0.65  0.79  0.73  1.0
  N  N25  1  0.22  0.29  0.26  1.0
  N  N26  1  0.23  0.86  0.18  1.0
  N  N27  1  0.65  0.36  0.65  1.0
  N  N28  1  0.23  0.36  0.18  1.0
  N  N29  1  0.65  0.86  0.65  1.0
  N  N30  1  0.65  0.29  0.73  1.0
  N  N31  1  0.22  0.79  0.26  1.0

data_AsS4N3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.89
_cell_length_b   9.91
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.09
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsS4N3
_chemical_formula_sum   'As4 S16 N12'
_cell_volume   829.15
_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
  As  As0  2  0.07  0.66  0.46  1.0
  As  As1  2  0.5  0.6  0.54  1.0
  S  S2  2  0.16  0.08  0.8  1.0
  S  S3  2  0.16  0.08  0.27  1.0
  S  S4  2  0.22  0.57  0.46  1.0
  S  S5  2  0.23  0.52  0.54  1.0
  S  S6  2  0.24  0.44  0.46  1.0
  S  S7  2  0.26  0.16  0.73  1.0
  S  S8  2  0.26  0.16  0.2  1.0
  S  S9  2  0.34  0.33  0.54  1.0
  N  N10  2  0.22  0.15  0.54  1.0
  N  N11  2  0.22  0.21  0.46  1.0
  N  N12  2  0.29  0.31  0.21  1.0
  N  N13  2  0.29  0.31  0.71  1.0
  N  N14  2  0.29  0.23  0.79  1.0
  N  N15  2  0.29  0.23  0.29  1.0

As As As As S S S S S S S S S S S S S S S S N N N N N N N N N N N N