data_[Ti4In4S4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2582]
_cell_length_b [5.2610]
_cell_length_c [12.1620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2In2S2O5]
_chemical_formula_sum '[Ti4 In4 S4 O10]'
_cell_volume [332.0212]
_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  4  0.0503  0.0000  0.1511  1
  In  In1  4  0.1308  0.5000  0.3322  1
  S  S2  4  0.1994  0.0000  0.4105  1
  O  O3  8  0.2044  0.2393  0.8028  1
  O  O4  2  0.0000  0.0000  0.0000  1
]