data_[Sn8S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.0135]
_cell_length_b [6.2690]
_cell_length_c [11.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sn2SO]
_chemical_formula_sum '[Sn8 S4 O4]'
_cell_volume [388.4991]
_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  0.0822  0.2390  0.0848  1
  Sn  Sn1  4  0.3164  0.1854  0.8514  1
  S  S2  4  0.4463  0.2129  0.3793  1
  O  O3  4  0.0034  0.0913  0.6143  1
]