data_[Ag6S3]
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 [P1]
_cell_length_a [4.4355]
_cell_length_b [4.6200]
_cell_length_c [9.8055]
_cell_angle_alpha [99.7844]
_cell_angle_beta [98.1977]
_cell_angle_gamma [94.8692]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2S]
_chemical_formula_sum '[Ag6 S3]'
_cell_volume [194.7575]
_cell_formula_units_Z [3]
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  0.1019  0.4509  0.4461  1.0
  Ag  Ag1  1  0.2257  0.6814  0.8159  1.0
  Ag  Ag2  1  0.4872  0.9297  0.1588  1.0
  Ag  Ag3  1  0.5600  0.0084  0.4718  1.0
  Ag  Ag4  1  0.7560  0.1171  0.7825  1.0
  Ag  Ag5  1  0.8943  0.4755  0.0974  1.0
  S  S6  1  0.2584  0.2194  0.6574  1.0
  S  S7  1  0.6062  0.5373  0.3157  1.0
  S  S8  1  0.9854  0.9553  0.0043  1.0
]