data_[Ti4H4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8396]
_cell_length_b [6.4155]
_cell_length_c [9.2010]
_cell_angle_alpha [100.2373]
_cell_angle_beta [92.0527]
_cell_angle_gamma [107.2570]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TiHO3]
_chemical_formula_sum '[Ti4 H4 O12]'
_cell_volume [212.0560]
_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
[
  Ti  Ti0  1  0.1464  0.2307  0.1435  1.0
  Ti  Ti1  1  0.2210  0.4370  0.8012  1.0
  Ti  Ti2  1  0.8545  0.6425  0.1713  1.0
  Ti  Ti3  1  0.9444  0.8577  0.8525  1.0
  H  H4  1  0.1829  0.3137  0.4470  1.0
  H  H5  1  0.6029  0.6310  0.6173  1.0
  H  H6  1  0.7003  0.3688  0.9514  1.0
  H  H7  1  0.9188  0.7372  0.4756  1.0
  O  O8  1  0.0939  0.1561  0.8798  1.0
  O  O9  1  0.1737  0.2630  0.3345  1.0
  O  O10  1  0.2177  0.3968  0.6152  1.0
  O  O11  1  0.3103  0.5613  0.1260  1.0
  O  O12  1  0.3918  0.7656  0.8554  1.0
  O  O13  1  0.5232  0.0598  0.6051  1.0
  O  O14  1  0.5726  0.0417  0.4727  1.0
  O  O15  1  0.6780  0.2982  0.1101  1.0
  O  O16  1  0.7408  0.4643  0.8707  1.0
  O  O17  1  0.8477  0.7448  0.6452  1.0
  O  O18  1  0.9125  0.7165  0.3627  1.0
  O  O19  1  0.9741  0.9019  0.0823  1.0
]