data_[Ag8Bi8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1454]
_cell_length_b [4.2593]
_cell_length_c [13.8117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgBiS2]
_chemical_formula_sum '[Ag8 Bi8 S16]'
_cell_volume [761.3854]
_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  0.0000  0.0105  0.2500  1.0
  Ag  Ag1  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  8  0.2476  0.4839  0.3753  1.0
  S  S3  8  0.1090  0.1115  0.9258  1.0
  S  S4  8  0.1349  0.4172  0.1916  1.0
]