data_[Ag8As8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7243]
_cell_length_b [4.5640]
_cell_length_c [12.8302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgAsS2]
_chemical_formula_sum '[Ag8 As8 S16]'
_cell_volume [742.5970]
_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  0.0665  0.7500  1
  Ag  Ag1  4  0.0000  0.5000  0.0000  1
  As  As2  8  0.2347  0.4479  0.3620  1
  S  S3  8  0.1049  0.1523  0.4124  1
  S  S4  8  0.1533  0.4112  0.6981  1
]