data_[Ti4S2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1769]
_cell_length_b [3.2053]
_cell_length_c [8.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2SO2]
_chemical_formula_sum '[Ti4 S2 O4]'
_cell_volume [118.0463]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.1121  0.2500  0.2107  1
  Ti  Ti1  2  0.2755  0.2500  0.5730  1
  S  S2  2  0.2650  0.7500  0.0439  1
  O  O3  2  0.2121  0.7500  0.3996  1
  O  O4  2  0.3386  0.7500  0.7122  1
]