data_[Ag4Sn6S12]
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 [6.6413]
_cell_length_b [11.4401]
_cell_length_c [6.7693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2(SnS2)3]
_chemical_formula_sum '[Ag4 Sn6 S12]'
_cell_volume [484.1354]
_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  0.0000  0.1664  0.5000  1
  Sn  Sn1  4  0.0000  0.3339  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  S  S3  8  0.2471  0.1707  0.2408  1
  S  S4  4  0.2457  0.0000  0.7522  1
]