data_[Ag16Te4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5338]
_cell_length_b [4.7887]
_cell_length_c [5.9892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag8Te2S]
_chemical_formula_sum '[Ag16 Te4 S2]'
_cell_volume [473.7337]
_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  0.0040  0.0000  0.7467  1
  Ag  Ag1  4  0.1338  0.5000  0.7611  1
  Ag  Ag2  4  0.1437  0.5000  0.2403  1
  Ag  Ag3  4  0.2016  0.0000  0.0016  1
  Te  Te4  4  0.1521  0.0000  0.5015  1
  S  S5  2  0.0000  0.5000  0.0000  1
]