data_[Ag8Sb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.1693]
_cell_length_b [5.8577]
_cell_length_c [10.3318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgSbS2]
_chemical_formula_sum '[Ag8 Sb8 S16]'
_cell_volume [1079.1252]
_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  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.5000  0.0000  1
  Sb  Sb2  8  0.1864  0.2702  0.6239  1
  S  S3  8  0.0832  0.2559  0.6913  1
  S  S4  8  0.2128  0.1392  0.1288  1
]