data_[Ag20Sn24S64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [15.0604]
_cell_length_b [15.3179]
_cell_length_c [10.7224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Ag5(Sn3S8)2]
_chemical_formula_sum '[Ag20 Sn24 S64]'
_cell_volume [2473.5810]
_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  0.1211  0.2432  0.4927  1
  Ag  Ag1  4  0.0000  0.1229  0.2500  1
  Ag  Ag2  4  0.1119  0.5000  0.5000  1
  Ag  Ag3  4  0.1288  0.5000  0.0000  1
  Sn  Sn4  8  0.1294  0.2444  0.9929  1
  Sn  Sn5  8  0.2483  0.3739  0.7441  1
  Sn  Sn6  4  0.0000  0.3651  0.7500  1
  Sn  Sn7  4  0.1274  0.0000  0.0000  1
  S  S8  8  0.0039  0.3611  0.9901  1
  S  S9  8  0.0120  0.1238  0.9984  1
  S  S10  8  0.1206  0.4847  0.7412  1
  S  S11  8  0.1265  0.2487  0.7467  1
  S  S12  8  0.1278  0.2407  0.2362  1
  S  S13  8  0.1308  0.0088  0.2389  1
  S  S14  8  0.2469  0.3752  0.4969  1
  S  S15  8  0.2478  0.3658  0.9839  1
]