data_[Sn4S4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5109]
_cell_length_b [5.5385]
_cell_length_c [5.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnSCl2]
_chemical_formula_sum '[Sn4 S4 Cl8]'
_cell_volume [575.8283]
_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
[
  Sn  Sn0  4  0.1654  0.0000  0.9695  1
  S  S1  4  0.0223  0.0000  0.8450  1
  Cl  Cl2  4  0.1623  0.0000  0.4623  1
  Cl  Cl3  4  0.1846  0.5000  0.9729  1
]