data_[Si4Ag8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4642]
_cell_length_b [7.3225]
_cell_length_c [6.3818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SiAg2S3]
_chemical_formula_sum '[Si4 Ag8 S12]'
_cell_volume [533.1162]
_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
[
  Si  Si0  4  0.0000  0.0781  0.7500  1.0
  Ag  Ag1  8  0.1631  0.4785  0.5023  1.0
  S  S2  8  0.1233  0.0696  0.4676  1.0
  S  S3  4  0.0000  0.3769  0.7500  1.0
]