data_[Ag20Sb4S16]
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 [Cmc2_1]
_cell_length_a [7.7853]
_cell_length_b [12.5260]
_cell_length_c [9.1221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag5SbS4]
_chemical_formula_sum '[Ag20 Sb4 S16]'
_cell_volume [889.5705]
_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  8  0.1880  0.3831  0.4912  1.0
  Ag  Ag1  8  0.1963  0.0645  0.6798  1.0
  Ag  Ag2  4  0.0000  0.1373  0.3220  1.0
  Sb  Sb3  4  0.0000  0.3250  0.8825  1.0
  S  S4  8  0.2349  0.2693  0.7178  1.0
  S  S5  4  0.0000  0.0183  0.9895  1.0
  S  S6  4  0.0000  0.4824  0.3029  1.0
]