data_[Li6Ti4P6O24]
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 [P1]
_cell_length_a [8.4764]
_cell_length_b [8.4979]
_cell_length_c [9.1034]
_cell_angle_alpha [62.4520]
_cell_angle_beta [62.3805]
_cell_angle_gamma [60.1080]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Ti2(PO4)3]
_chemical_formula_sum '[Li6 Ti4 P6 O24]'
_cell_volume [480.3063]
_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  1  0.0764  0.7331  0.8645  1
  Li  Li1  1  0.2440  0.5693  0.3550  1
  Li  Li2  1  0.3305  0.0719  0.8629  1
  Li  Li3  1  0.6699  0.9233  0.1389  1
  Li  Li4  1  0.7328  0.3315  0.8594  1
  Li  Li5  1  0.9245  0.2687  0.1395  1
  Ti  Ti6  1  0.1443  0.1434  0.5631  1
  Ti  Ti7  1  0.3463  0.3508  0.9571  1
  Ti  Ti8  1  0.6451  0.6545  0.0436  1
  Ti  Ti9  1  0.8466  0.8563  0.4387  1
  P  P10  1  0.0441  0.4567  0.7500  1
  P  P11  1  0.2501  0.9574  0.2519  1
  P  P12  1  0.4606  0.7484  0.7493  1
  P  P13  1  0.5421  0.2515  0.2504  1
  P  P14  1  0.7477  0.0430  0.7501  1
  P  P15  1  0.9570  0.5399  0.2496  1
  O  O16  1  0.0177  0.6050  0.5749  1
  O  O17  1  0.1269  0.8535  0.2790  1
  O  O18  1  0.1437  0.2526  0.7325  1
  O  O19  1  0.1514  0.5324  0.0991  1
  O  O20  1  0.1647  0.4958  0.8068  1
  O  O21  1  0.2007  0.9974  0.4177  1
  O  O22  1  0.2055  0.1502  0.1003  1
  O  O23  1  0.2561  0.8708  0.7315  1
  O  O24  1  0.3854  0.2075  0.4176  1
  O  O25  1  0.4658  0.8351  0.1951  1
  O  O26  1  0.4727  0.7976  0.8896  1
  O  O27  1  0.4963  0.5334  0.8078  1
  O  O28  1  0.5050  0.4669  0.1985  1
  O  O29  1  0.5315  0.1665  0.8090  1
  O  O30  1  0.5414  0.2081  0.0999  1
  O  O31  1  0.6135  0.7993  0.5776  1
  O  O32  1  0.7474  0.1287  0.2666  1
  O  O33  1  0.7905  0.8490  0.9014  1
  O  O34  1  0.8000  0.0042  0.5824  1
  O  O35  1  0.8315  0.5064  0.1922  1
  O  O36  1  0.8472  0.4618  0.8966  1
  O  O37  1  0.8577  0.7446  0.2671  1
  O  O38  1  0.8705  0.1428  0.7317  1
  O  O39  1  0.9967  0.3898  0.4174  1
]