data_[Ag4S8]
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 [P2/c]
_cell_length_a [8.1997]
_cell_length_b [4.2598]
_cell_length_c [8.7776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AgS2]
_chemical_formula_sum '[Ag4 S8]'
_cell_volume [260.7971]
_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  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.5000  0.4913  0.7500  1.0
  S  S2  4  0.2096  0.3477  0.9519  1.0
  S  S3  4  0.2856  0.0918  0.8017  1.0
]