data_Y2Ti2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85
_cell_length_b   11.85
_cell_length_c   11.85
_cell_angle_alpha   161.57
_cell_angle_beta   161.57
_cell_angle_gamma   26.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ti2S2O5
_chemical_formula_sum   'Y2 Ti2 S2 O5'
_cell_volume   166.36
_cell_formula_units_Z   1
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
  Y  Y0  1  0.0  0.0  0.39  1.0
  Y  Y1  1  0.0  0.0  0.7  1.0
  Ti  Ti2  1  0.0  0.0  0.28  1.0
  Ti  Ti3  1  0.0  0.0  0.81  1.0
  S  S4  1  0.0  0.0  0.35  1.0
  S  S5  1  0.0  0.0  0.74  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.0  0.9  0.25  1.0
  O  O8  1  0.0  0.9  0.29  1.0
  O  O9  1  0.9  0.0  0.25  1.0
  O  O10  1  0.9  0.0  0.29  1.0

data_Y2Ti2S2O5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Ti2S2O5
_chemical_formula_sum   'Y4 Ti4 S4 O10'
_cell_volume   332.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.3  1.0
  Y  Y1  2  0.0  0.0  0.61  1.0
  Ti  Ti2  2  0.0  0.0  0.19  1.0
  Ti  Ti3  2  0.0  0.0  0.72  1.0
  S  S4  2  0.0  0.0  0.26  1.0
  S  S5  2  0.0  0.0  0.65  1.0
  O  O6  4  0.45  0.55  0.61  1.0
  O  O7  4  0.45  0.55  0.64  1.0
  O  O8  2  0.0  0.0  0.0  1.0

Y Y Ti Ti S S O O O O O