data_[Se4S24Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.5199]
_cell_length_b [15.6915]
_cell_length_c [4.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Se(S3Cl)2]
_chemical_formula_sum '[Se4 S24 Cl8]'
_cell_volume [1333.2819]
_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
[
  Se  Se0  4  0.0000  0.2759  0.2500  1
  S  S1  8  0.0390  0.3667  0.6084  1
  S  S2  8  0.0937  0.1059  0.5874  1
  S  S3  8  0.1739  0.1471  0.8402  1
  Cl  Cl4  8  0.2267  0.3778  0.3298  1
]