data_[Li6Ti6P8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.7258]
_cell_length_b [8.0805]
_cell_length_c [10.2567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li3Ti3(PO4)4]
_chemical_formula_sum '[Li6 Ti6 P8 O32]'
_cell_volume [638.0305]
_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
[
  Li  Li0  2  0.1576  0.8695  0.8314  1
  Li  Li1  2  0.3501  0.1316  0.9222  1
  Li  Li2  2  0.3614  0.1422  0.4214  1
  Ti  Ti3  2  0.1491  0.8509  0.3250  1
  Ti  Ti4  2  0.2586  0.4952  0.3704  1
  Ti  Ti5  2  0.2622  0.5031  0.8770  1
  P  P6  2  0.0464  0.6875  0.0979  1
  P  P7  2  0.0466  0.6975  0.6113  1
  P  P8  2  0.4478  0.3036  0.6451  1
  P  P9  2  0.4529  0.3097  0.1428  1
  O  O10  2  0.0029  0.3668  0.8482  1
  O  O11  2  0.0138  0.3718  0.3524  1
  O  O12  2  0.1062  0.0735  0.9048  1
  O  O13  2  0.1067  0.0744  0.3994  1
  O  O14  2  0.1242  0.6967  0.4727  1
  O  O15  2  0.1336  0.6927  0.9689  1
  O  O16  2  0.1911  0.6389  0.7135  1
  O  O17  2  0.1914  0.6424  0.2121  1
  O  O18  2  0.3097  0.3636  0.0324  1
  O  O19  2  0.3126  0.3615  0.5354  1
  O  O20  2  0.3647  0.3073  0.2755  1
  O  O21  2  0.3689  0.3092  0.7780  1
  O  O22  2  0.3912  0.9230  0.3487  1
  O  O23  2  0.3960  0.9274  0.8472  1
  O  O24  2  0.4900  0.6292  0.3956  1
  O  O25  2  0.4928  0.6310  0.8960  1
]