data_[Ag4Sn6S16]
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 [C2/m]
_cell_length_a [12.6889]
_cell_length_b [7.3462]
_cell_length_c [6.6496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2Sn3S8]
_chemical_formula_sum '[Ag4 Sn6 S16]'
_cell_volume [610.1505]
_cell_formula_units_Z [2]
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  0.2160  0.5000  0.5674  1.0
  Sn  Sn1  4  0.0000  0.2553  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.1277  0.2291  0.3625  1.0
  S  S4  4  0.1129  0.0000  0.8623  1.0
  S  S5  4  0.1140  0.5000  0.8835  1.0
]