data_[Ag8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.4549]
_cell_length_b [11.2371]
_cell_length_c [7.9978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AgS2]
_chemical_formula_sum '[Ag8 S16]'
_cell_volume [544.1421]
_cell_formula_units_Z [8]
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  4  0.1290  0.2932  0.5981  1.0
  Ag  Ag1  4  0.1586  0.0487  0.1362  1.0
  S  S2  4  0.1299  0.3751  0.0596  1.0
  S  S3  4  0.2031  0.2326  0.9242  1.0
  S  S4  4  0.2375  0.4771  0.4639  1.0
  S  S5  4  0.2817  0.1123  0.4590  1.0
]