data_[Na1Ti2H1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.0533]
_cell_length_b [3.6965]
_cell_length_c [10.4798]
_cell_angle_alpha [93.3418]
_cell_angle_beta [90.8519]
_cell_angle_gamma [90.0030]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTi2HO5]
_chemical_formula_sum '[Na1 Ti2 H1 O5]'
_cell_volume [118.0666]
_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
[
  Na  Na0  1  0.2386  0.3527  0.9703  1
  Ti  Ti1  1  0.2098  0.7583  0.4116  1
  Ti  Ti2  1  0.7205  0.2942  0.6273  1
  H  H3  1  0.7343  0.8638  0.0977  1
  O  O4  1  0.2125  0.2685  0.4725  1
  O  O5  1  0.2255  0.3109  0.7271  1
  O  O6  1  0.7046  0.7423  0.3123  1
  O  O7  1  0.7171  0.7842  0.5668  1
  O  O8  1  0.7420  0.8601  0.0045  1
]