data_AgAsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   17.58
_cell_angle_alpha   99.99
_cell_angle_beta   99.99
_cell_angle_gamma   54.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsS2
_chemical_formula_sum   'Ag12 As12 S24'
_cell_volume   1051.91
_cell_formula_units_Z   12
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  0.84  0.01  0.31  1.0
  Ag  Ag1  1  0.13  0.99  0.93  1.0
  Ag  Ag2  1  0.84  0.06  0.31  1.0
  Ag  Ag3  1  0.13  0.94  0.93  1.0
  Ag  Ag4  1  0.18  0.06  0.51  1.0
  Ag  Ag5  1  0.5  0.06  0.11  1.0
  Ag  Ag6  1  0.79  0.94  0.73  1.0
  Ag  Ag7  1  0.47  0.94  0.14  1.0
  Ag  Ag8  1  0.23  0.02  0.23  1.0
  Ag  Ag9  1  0.46  0.02  0.39  1.0
  Ag  Ag10  1  0.74  0.98  0.02  1.0
  Ag  Ag11  1  0.51  0.98  0.85  1.0
  As  As12  1  0.69  0.04  0.63  1.0
  As  As13  1  1.0  0.04  0.99  1.0
  As  As14  1  0.28  0.96  0.61  1.0
  As  As15  1  0.97  0.96  0.26  1.0
  As  As16  1  0.22  0.05  0.22  1.0
  As  As17  1  0.46  0.05  0.4  1.0
  As  As18  1  0.74  0.95  0.03  1.0
  As  As19  1  0.51  0.95  0.84  1.0
  As  As20  1  0.86  0.04  0.11  1.0
  As  As21  1  0.83  0.04  0.51  1.0
  As  As22  1  0.11  0.96  0.13  1.0
  As  As23  1  0.14  0.96  0.74  1.0
  S  S24  1  0.31  0.71  0.78  1.0
  S  S25  1  0.37  0.71  0.84  1.0
  S  S26  1  0.66  0.29  0.47  1.0
  S  S27  1  0.6  0.29  0.4  1.0
  S  S28  1  0.33  0.74  0.56  1.0
  S  S29  1  0.35  0.74  0.07  1.0
  S  S30  1  0.64  0.26  0.69  1.0
  S  S31  1  0.62  0.26  0.18  1.0
  S  S32  1  0.89  0.61  0.82  1.0
  S  S33  1  0.79  0.61  0.81  1.0
  S  S34  1  0.08  0.39  0.43  1.0
  S  S35  1  0.18  0.39  0.44  1.0
  S  S36  1  0.93  0.66  0.92  1.0
  S  S37  1  0.75  0.66  0.7  1.0
  S  S38  1  0.04  0.34  0.33  1.0
  S  S39  1  0.21  0.34  0.54  1.0
  S  S40  1  0.73  0.26  0.75  1.0
  S  S41  1  0.95  0.26  0.87  1.0
  S  S42  1  0.24  0.74  0.49  1.0
  S  S43  1  0.01  0.74  0.37  1.0
  S  S44  1  0.63  0.48  0.28  1.0
  S  S45  1  0.05  0.48  0.34  1.0
  S  S46  1  0.34  0.52  0.97  1.0
  S  S47  1  0.91  0.52  0.9  1.0

data_AgAsS2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.92
_cell_length_b   8.66
_cell_length_c   17.58
_cell_angle_alpha   99.99
_cell_angle_beta   90.0
_cell_angle_gamma   117.22
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgAsS2
_chemical_formula_sum   'Ag12 As12 S24'
_cell_volume   1051.91
_cell_formula_units_Z   12
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  0.01  0.86  0.69  1.0
  Ag  Ag1  2  0.02  0.26  0.61  1.0
  Ag  Ag2  2  0.02  0.49  0.77  1.0
  Ag  Ag3  2  0.06  0.92  0.69  1.0
  Ag  Ag4  2  0.06  0.26  0.89  1.0
  Ag  Ag5  2  0.06  0.58  0.49  1.0
  As  As6  2  0.04  0.88  0.89  1.0
  As  As7  2  0.04  0.91  0.49  1.0
  As  As8  2  0.04  0.06  0.37  1.0
  As  As9  2  0.04  0.75  0.01  1.0
  As  As10  2  0.05  0.29  0.6  1.0
  As  As11  2  0.05  0.53  0.78  1.0
  S  S12  2  0.26  0.0  0.13  1.0
  S  S13  2  0.26  0.23  0.25  1.0
  S  S14  2  0.26  0.89  0.56  1.0
  S  S15  2  0.26  0.91  0.07  1.0
  S  S16  2  0.29  0.9  0.78  1.0
  S  S17  2  0.29  0.96  0.84  1.0
  S  S18  2  0.34  0.4  0.7  1.0
  S  S19  2  0.34  0.57  0.92  1.0
  S  S20  2  0.39  0.48  0.81  1.0
  S  S21  2  0.39  0.58  0.82  1.0
  S  S22  2  0.48  0.13  0.66  1.0
  S  S23  2  0.48  0.56  0.72  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag 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