data_[Te8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.8773]
_cell_length_b [8.7318]
_cell_length_c [10.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TeS]
_chemical_formula_sum '[Te8 S8]'
_cell_volume [609.0773]
_cell_formula_units_Z [8]
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
[
  Te  Te0  4  0.2172  0.5372  0.8956  1.0
  Te  Te1  4  0.2431  0.8605  0.1902  1.0
  S  S2  4  0.0600  0.0283  0.0495  1.0
  S  S3  4  0.1271  0.6102  0.1198  1.0
]