data_[Ag20S8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [18.3175]
_cell_length_b [6.8704]
_cell_length_c [6.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ag5(SCl)2]
_chemical_formula_sum '[Ag20 S8 Cl8]'
_cell_volume [844.2045]
_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  0.0316  0.2002  0.6723  1
  Ag  Ag1  8  0.1293  0.5717  0.5949  1
  Ag  Ag2  4  0.2500  0.1391  0.6526  1
  S  S3  4  0.0000  0.0000  0.9802  1
  S  S4  4  0.2500  0.0437  0.9983  1
  Cl  Cl5  8  0.1315  0.5395  0.9992  1
]