data_AsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   9.01
_cell_length_c   27.2
_cell_angle_alpha   81.83
_cell_angle_beta   84.2
_cell_angle_gamma   78.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS
_chemical_formula_sum   'As24 S24'
_cell_volume   1614.15
_cell_formula_units_Z   24
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  0.87  0.72  0.64  1.0
  As  As1  1  0.83  0.16  0.84  1.0
  As  As2  1  0.29  0.11  0.6  1.0
  As  As3  1  0.28  0.47  0.93  1.0
  As  As4  1  0.64  0.9  0.67  1.0
  As  As5  1  0.31  0.84  0.28  1.0
  As  As6  1  0.26  0.08  0.62  1.0
  As  As7  1  0.39  0.21  0.11  1.0
  As  As8  1  0.64  0.84  0.76  1.0
  As  As9  1  0.84  0.99  0.33  1.0
  As  As10  1  0.18  0.08  0.95  1.0
  As  As11  1  0.06  0.79  0.11  1.0
  As  As12  1  0.71  0.74  0.04  1.0
  As  As13  1  0.66  0.25  0.87  1.0
  As  As14  1  0.09  0.78  0.93  1.0
  As  As15  1  0.12  0.42  0.62  1.0
  As  As16  1  0.58  0.62  0.27  1.0
  As  As17  1  0.84  0.86  0.02  1.0
  As  As18  1  0.6  0.71  0.57  1.0
  As  As19  1  0.46  0.6  0.15  1.0
  As  As20  1  0.74  0.35  0.55  1.0
  As  As21  1  0.02  1.0  0.35  1.0
  As  As22  1  0.46  0.83  0.92  1.0
  As  As23  1  0.52  0.31  0.55  1.0
  S  S24  1  0.86  0.26  0.45  1.0
  S  S25  1  0.01  0.47  0.68  1.0
  S  S26  1  0.43  0.6  0.99  1.0
  S  S27  1  0.49  0.04  0.64  1.0
  S  S28  1  0.75  0.97  0.8  1.0
  S  S29  1  0.05  0.7  0.8  1.0
  S  S30  1  0.92  0.47  0.87  1.0
  S  S31  1  0.29  0.66  0.01  1.0
  S  S32  1  0.07  0.96  0.32  1.0
  S  S33  1  0.59  0.48  0.3  1.0
  S  S34  1  0.9  0.6  0.29  1.0
  S  S35  1  0.94  0.49  0.58  1.0
  S  S36  1  0.71  0.88  0.96  1.0
  S  S37  1  0.72  0.44  0.12  1.0
  S  S38  1  0.72  0.8  0.53  1.0
  S  S39  1  0.24  0.46  0.31  1.0
  S  S40  1  0.46  0.98  0.78  1.0
  S  S41  1  0.7  0.93  0.93  1.0
  S  S42  1  0.61  0.25  0.63  1.0
  S  S43  1  0.09  0.21  0.52  1.0
  S  S44  1  0.4  0.37  0.54  1.0
  S  S45  1  0.41  0.6  0.37  1.0
  S  S46  1  0.66  0.26  0.51  1.0
  S  S47  1  0.46  0.75  0.14  1.0

data_AsS
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.81
_cell_length_b   9.01
_cell_length_c   27.2
_cell_angle_alpha   81.83
_cell_angle_beta   84.2
_cell_angle_gamma   78.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS
_chemical_formula_sum   'As24 S24'
_cell_volume   1614.15
_cell_formula_units_Z   24
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  0.02  1.0  0.35  1.0
  As  As1  1  0.06  0.79  0.11  1.0
  As  As2  1  0.09  0.78  0.93  1.0
  As  As3  1  0.12  0.42  0.62  1.0
  As  As4  1  0.18  0.08  0.95  1.0
  As  As5  1  0.26  0.08  0.62  1.0
  As  As6  1  0.28  0.47  0.93  1.0
  As  As7  1  0.29  0.11  0.6  1.0
  As  As8  1  0.31  0.84  0.28  1.0
  As  As9  1  0.39  0.21  0.11  1.0
  As  As10  1  0.46  0.6  0.15  1.0
  As  As11  1  0.46  0.83  0.92  1.0
  As  As12  1  0.52  0.31  0.55  1.0
  As  As13  1  0.58  0.62  0.27  1.0
  As  As14  1  0.6  0.71  0.57  1.0
  As  As15  1  0.64  0.9  0.67  1.0
  As  As16  1  0.64  0.84  0.76  1.0
  As  As17  1  0.66  0.25  0.87  1.0
  As  As18  1  0.71  0.74  0.04  1.0
  As  As19  1  0.74  0.35  0.55  1.0
  As  As20  1  0.83  0.16  0.84  1.0
  As  As21  1  0.84  0.99  0.33  1.0
  As  As22  1  0.84  0.86  0.02  1.0
  As  As23  1  0.87  0.72  0.64  1.0
  S  S24  1  0.01  0.47  0.68  1.0
  S  S25  1  0.05  0.7  0.8  1.0
  S  S26  1  0.07  0.96  0.32  1.0
  S  S27  1  0.09  0.21  0.52  1.0
  S  S28  1  0.24  0.46  0.31  1.0
  S  S29  1  0.29  0.66  0.01  1.0
  S  S30  1  0.4  0.37  0.54  1.0
  S  S31  1  0.41  0.6  0.37  1.0
  S  S32  1  0.43  0.6  0.99  1.0
  S  S33  1  0.46  0.98  0.78  1.0
  S  S34  1  0.46  0.75  0.14  1.0
  S  S35  1  0.49  0.04  0.64  1.0
  S  S36  1  0.59  0.48  0.3  1.0
  S  S37  1  0.61  0.25  0.63  1.0
  S  S38  1  0.66  0.26  0.51  1.0
  S  S39  1  0.7  0.93  0.93  1.0
  S  S40  1  0.71  0.88  0.96  1.0
  S  S41  1  0.72  0.44  0.12  1.0
  S  S42  1  0.72  0.8  0.53  1.0
  S  S43  1  0.75  0.97  0.8  1.0
  S  S44  1  0.86  0.26  0.45  1.0
  S  S45  1  0.9  0.6  0.29  1.0
  S  S46  1  0.92  0.47  0.87  1.0
  S  S47  1  0.94  0.49  0.58  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 S S S S S S S S S S S S S S S S S S S S S S S S