data_[Ag8Te4S12]
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 [Cc]
_cell_length_a [6.9200]
_cell_length_b [11.6609]
_cell_length_c [8.0067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ag2TeS3]
_chemical_formula_sum '[Ag8 Te4 S12]'
_cell_volume [589.0011]
_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  4  0.3387  0.0326  0.3755  1.0
  Ag  Ag1  4  0.3852  0.2948  0.9183  1.0
  Te  Te2  4  0.3532  0.3587  0.4028  1.0
  S  S3  4  0.2357  0.1194  0.0542  1.0
  S  S4  4  0.2500  0.4737  0.0155  1.0
  S  S5  4  0.2974  0.2131  0.5928  1.0
]