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 [Cc]
_cell_length_a [14.9090]
_cell_length_b [5.7965]
_cell_length_c [13.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AgSbS2]
_chemical_formula_sum '[Ag8 Sb8 S16]'
_cell_volume [1173.0054]
_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  0.0057  0.4942  0.5032  1.0
  Ag  Ag1  4  0.0063  0.0056  0.0036  1.0
  Sb  Sb2  4  0.2085  0.4284  0.1584  1.0
  Sb  Sb3  4  0.3017  0.0782  0.8598  1.0
  S  S4  4  0.0529  0.2561  0.1431  1.0
  S  S5  4  0.1945  0.4093  0.8191  1.0
  S  S6  4  0.3114  0.0897  0.1987  1.0
  S  S7  4  0.4548  0.2570  0.8642  1.0
]