data_AsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   10.62
_cell_length_c   18.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS
_chemical_formula_sum   'As32 S32'
_cell_volume   1492.17
_cell_formula_units_Z   32
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  0.83  0.07  0.82  1.0
  As  As1  1  0.55  0.38  0.82  1.0
  As  As2  1  0.76  0.55  0.7  1.0
  As  As3  1  0.03  0.24  0.7  1.0
  As  As4  1  0.6  0.66  0.65  1.0
  As  As5  1  0.78  0.35  0.65  1.0
  As  As6  1  0.93  0.45  0.73  1.0
  As  As7  1  0.87  0.76  0.73  1.0
  As  As8  1  0.77  0.29  0.8  1.0
  As  As9  1  0.61  0.6  0.8  1.0
  As  As10  1  0.81  0.29  0.46  1.0
  As  As11  1  0.98  0.6  0.46  1.0
  As  As12  1  0.66  0.45  0.54  1.0
  As  As13  1  0.72  0.76  0.54  1.0
  As  As14  1  0.99  0.66  0.61  1.0
  As  As15  1  0.8  0.35  0.61  1.0
  As  As16  1  0.83  0.55  0.56  1.0
  As  As17  1  0.55  0.24  0.56  1.0
  As  As18  1  0.76  0.07  0.96  1.0
  As  As19  1  0.03  0.38  0.96  1.0
  As  As20  1  0.6  0.96  0.91  1.0
  As  As21  1  0.78  0.26  0.91  1.0
  As  As22  1  0.93  0.17  0.99  1.0
  As  As23  1  0.87  0.86  0.99  1.0
  As  As24  1  0.77  0.32  0.06  1.0
  As  As25  1  0.61  0.01  0.06  1.0
  As  As26  1  0.81  0.32  0.72  1.0
  As  As27  1  0.98  0.01  0.72  1.0
  As  As28  1  0.66  0.17  0.8  1.0
  As  As29  1  0.72  0.86  0.8  1.0
  As  As30  1  0.99  0.96  0.88  1.0
  As  As31  1  0.8  0.26  0.88  1.0
  S  S32  1  0.65  0.42  0.76  1.0
  S  S33  1  0.73  0.11  0.76  1.0
  S  S34  1  0.93  0.2  0.76  1.0
  S  S35  1  0.86  0.51  0.76  1.0
  S  S36  1  0.56  0.21  0.92  1.0
  S  S37  1  0.82  0.52  0.92  1.0
  S  S38  1  0.87  0.89  0.04  1.0
  S  S39  1  0.92  0.58  0.04  1.0
  S  S40  1  0.84  0.72  0.2  1.0
  S  S41  1  0.54  0.41  0.2  1.0
  S  S42  1  0.75  0.72  0.06  1.0
  S  S43  1  0.04  0.41  0.06  1.0
  S  S44  1  0.71  0.89  0.23  1.0
  S  S45  1  0.67  0.58  0.23  1.0
  S  S46  1  0.03  0.21  0.34  1.0
  S  S47  1  0.76  0.52  0.34  1.0
  S  S48  1  0.65  0.2  0.5  1.0
  S  S49  1  0.73  0.51  0.5  1.0
  S  S50  1  0.93  0.42  0.02  1.0
  S  S51  1  0.86  0.11  0.02  1.0
  S  S52  1  0.56  0.41  0.18  1.0
  S  S53  1  0.82  0.1  0.18  1.0
  S  S54  1  0.87  0.73  0.3  1.0
  S  S55  1  0.92  0.04  0.3  1.0
  S  S56  1  0.84  0.9  0.46  1.0
  S  S57  1  0.54  0.21  0.46  1.0
  S  S58  1  0.75  0.9  0.33  1.0
  S  S59  1  0.04  0.21  0.33  1.0
  S  S60  1  0.71  0.73  0.49  1.0
  S  S61  1  0.67  0.04  0.49  1.0
  S  S62  1  0.03  0.41  0.6  1.0
  S  S63  1  0.76  0.1  0.6  1.0

data_AsS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.59
_cell_length_b   10.62
_cell_length_c   18.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsS
_chemical_formula_sum   'As32 S32'
_cell_volume   1492.17
_cell_formula_units_Z   32
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  0.26  0.07  0.56  1.0
  As  As1  2  0.26  0.93  0.3  1.0
  As  As2  2  0.3  0.35  0.39  1.0
  As  As3  2  0.3  0.65  0.65  1.0
  As  As4  2  0.31  0.29  0.54  1.0
  As  As5  2  0.31  0.71  0.8  1.0
  As  As6  2  0.37  0.14  0.27  1.0
  As  As7  2  0.37  0.86  0.54  1.0
  As  As8  2  0.43  0.45  0.27  1.0
  As  As9  2  0.43  0.55  0.54  1.0
  As  As10  2  0.47  0.24  0.44  1.0
  As  As11  2  0.47  0.76  0.7  1.0
  As  As12  2  0.48  0.99  0.54  1.0
  As  As13  2  0.48  0.01  0.8  1.0
  As  As14  2  0.49  0.04  0.39  1.0
  As  As15  2  0.49  0.96  0.65  1.0
  S  S16  2  0.25  0.1  0.94  1.0
  S  S17  2  0.25  0.9  0.2  1.0
  S  S18  2  0.26  0.1  0.92  1.0
  S  S19  2  0.26  0.9  0.66  1.0
  S  S20  2  0.36  0.11  0.5  1.0
  S  S21  2  0.36  0.89  0.24  1.0
  S  S22  2  0.37  0.27  0.96  1.0
  S  S23  2  0.37  0.73  0.23  1.0
  S  S24  2  0.42  0.42  0.23  1.0
  S  S25  2  0.42  0.58  0.96  1.0
  S  S26  2  0.43  0.2  0.24  1.0
  S  S27  2  0.43  0.8  0.5  1.0
  S  S28  2  0.46  0.41  0.8  1.0
  S  S29  2  0.46  0.59  0.06  1.0
  S  S30  2  0.47  0.21  0.08  1.0
  S  S31  2  0.47  0.79  0.34  1.0

As As As As As As As As As As As As As As As As As As As As As As As As As As As As As As As As S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S