data_[Ag8Sn4S12]
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 [Cmc2_1]
_cell_length_a [12.3661]
_cell_length_b [7.1949]
_cell_length_c [6.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag2SnS3]
_chemical_formula_sum '[Ag8 Sn4 S12]'
_cell_volume [602.7113]
_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  0.1644  0.1568  0.0100  1.0
  Sn  Sn1  4  0.0000  0.3300  0.5347  1.0
  S  S2  8  0.1636  0.1780  0.6342  1.0
  S  S3  4  0.0000  0.3415  0.1599  1.0
]