# generated using pymatgen
data_Ti2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99880966
_cell_length_b   8.99880966
_cell_length_c   8.99881021
_cell_angle_alpha   56.97965777
_cell_angle_beta   56.97965777
_cell_angle_gamma   56.97965898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2(SO4)3
_chemical_formula_sum   'Ti4 S6 O24'
_cell_volume   479.38780709
_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  1  0.85548100  0.85548100  0.85548100  1.0
  Ti  Ti1  1  0.14451900  0.14451900  0.14451900  1.0
  Ti  Ti2  1  0.64849800  0.64849800  0.64849800  1.0
  Ti  Ti3  1  0.35150200  0.35150200  0.35150200  1.0
  S  S4  1  0.03711200  0.75066700  0.46184700  1.0
  S  S5  1  0.46184700  0.03711200  0.75066700  1.0
  S  S6  1  0.75066700  0.46184700  0.03711200  1.0
  S  S7  1  0.96288800  0.24933300  0.53815300  1.0
  S  S8  1  0.53815300  0.96288800  0.24933300  1.0
  S  S9  1  0.24933300  0.53815300  0.96288800  1.0
  O  O10  1  0.00988800  0.79029300  0.61654800  1.0
  O  O11  1  0.61654800  0.00988800  0.79029300  1.0
  O  O12  1  0.79029300  0.61654800  0.00988800  1.0
  O  O13  1  0.99011200  0.20970700  0.38345200  1.0
  O  O14  1  0.38345200  0.99011200  0.20970700  1.0
  O  O15  1  0.20970700  0.38345200  0.99011200  1.0
  O  O16  1  0.85573000  0.75993800  0.48532300  1.0
  O  O17  1  0.48532300  0.85573000  0.75993800  1.0
  O  O18  1  0.75993800  0.48532300  0.85573000  1.0
  O  O19  1  0.14427000  0.24006200  0.51467700  1.0
  O  O20  1  0.51467700  0.14427000  0.24006200  1.0
  O  O21  1  0.24006200  0.51467700  0.14427000  1.0
  O  O22  1  0.09919400  0.89428600  0.27703400  1.0
  O  O23  1  0.27703400  0.09919400  0.89428600  1.0
  O  O24  1  0.89428600  0.27703400  0.09919400  1.0
  O  O25  1  0.90080600  0.10571400  0.72296600  1.0
  O  O26  1  0.72296600  0.90080600  0.10571400  1.0
  O  O27  1  0.10571400  0.72296600  0.90080600  1.0
  O  O28  1  0.18285100  0.56004400  0.46743900  1.0
  O  O29  1  0.46743900  0.18285100  0.56004400  1.0
  O  O30  1  0.56004400  0.46743900  0.18285100  1.0
  O  O31  1  0.81714900  0.43995600  0.53256100  1.0
  O  O32  1  0.53256100  0.81714900  0.43995600  1.0
  O  O33  1  0.43995600  0.53256100  0.81714900  1.0