data_Ag3AsS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   17.22
_cell_angle_alpha   107.78
_cell_angle_beta   107.78
_cell_angle_gamma   55.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3AsS3
_chemical_formula_sum   'Ag12 As4 S12'
_cell_volume   631.17
_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  0.4  0.21  0.48  1.0
  Ag  Ag1  1  0.82  0.21  0.6  1.0
  Ag  Ag2  1  0.58  0.27  0.17  1.0
  Ag  Ag3  1  0.67  0.73  0.99  1.0
  Ag  Ag4  1  0.32  0.28  0.15  1.0
  Ag  Ag5  1  0.29  0.72  0.07  1.0
  Ag  Ag6  1  0.85  0.79  0.68  1.0
  Ag  Ag7  1  0.96  0.28  0.09  1.0
  Ag  Ag8  1  0.64  0.27  0.91  1.0
  Ag  Ag9  1  0.93  0.72  0.01  1.0
  Ag  Ag10  1  0.43  0.79  0.56  1.0
  Ag  Ag11  1  0.61  0.73  0.25  1.0
  As  As12  1  0.42  0.35  0.16  1.0
  As  As13  1  0.8  0.35  0.92  1.0
  As  As14  1  0.45  0.65  0.24  1.0
  As  As15  1  0.83  0.65  0.99  1.0
  S  S16  1  0.75  0.02  0.69  1.0
  S  S17  1  0.94  0.93  0.8  1.0
  S  S18  1  0.88  0.92  0.8  1.0
  S  S19  1  0.34  0.92  0.27  1.0
  S  S20  1  0.28  0.93  0.28  1.0
  S  S21  1  0.37  0.08  0.35  1.0
  S  S22  1  0.91  0.08  0.88  1.0
  S  S23  1  0.31  0.07  0.36  1.0
  S  S24  1  0.78  0.98  0.77  1.0
  S  S25  1  0.47  0.02  0.39  1.0
  S  S26  1  0.5  0.98  0.47  1.0
  S  S27  1  0.97  0.07  0.88  1.0

data_Ag3AsS3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.41
_cell_length_b   6.89
_cell_length_c   16.47
_cell_angle_alpha   84.33
_cell_angle_beta   78.78
_cell_angle_gamma   62.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ag3AsS3
_chemical_formula_sum   'Ag12 As4 S12'
_cell_volume   631.17
_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  0.21  0.61  0.48  1.0
  Ag  Ag1  2  0.21  0.92  0.6  1.0
  Ag  Ag2  2  0.27  0.04  0.17  1.0
  Ag  Ag3  2  0.27  0.36  0.91  1.0
  Ag  Ag4  2  0.28  0.89  0.99  1.0
  Ag  Ag5  2  0.28  0.59  0.93  1.0
  As  As6  2  0.35  0.44  0.92  1.0
  As  As7  2  0.35  0.82  0.16  1.0
  S  S8  2  0.02  0.94  0.69  1.0
  S  S9  2  0.02  0.97  0.39  1.0
  S  S10  2  0.07  0.02  0.72  1.0
  S  S11  2  0.07  0.89  0.2  1.0
  S  S12  2  0.08  0.94  0.2  1.0
  S  S13  2  0.08  0.95  0.73  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag As As As As S S S S S S S S S S S S