data_[Li4Ti8P12O48]
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/c]
_cell_length_a [8.7176]
_cell_length_b [11.9991]
_cell_length_c [8.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTi2(PO4)3]
_chemical_formula_sum '[Li4 Ti8 P12 O48]'
_cell_volume [903.7627]
_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
[
  Li  Li0  4  0.2290  0.1824  0.7124  1
  Ti  Ti1  4  0.0321  0.1161  0.2457  1
  Ti  Ti2  4  0.4511  0.6210  0.7495  1
  P  P3  4  0.1039  0.6448  0.8985  1
  P  P4  4  0.2525  0.0017  0.9602  1
  P  P5  4  0.3949  0.1446  0.3915  1
  O  O6  4  0.0157  0.2231  0.6783  1
  O  O7  4  0.0663  0.5253  0.8433  1
  O  O8  4  0.0891  0.6557  0.0745  1
  O  O9  4  0.1478  0.5754  0.3621  1
  O  O10  4  0.1509  0.0754  0.0632  1
  O  O11  4  0.2309  0.1772  0.3374  1
  O  O12  4  0.2691  0.6739  0.8493  1
  O  O13  4  0.3441  0.0788  0.8515  1
  O  O14  4  0.3523  0.5727  0.5636  1
  O  O15  4  0.4013  0.1541  0.5700  1
  O  O16  4  0.4332  0.0260  0.3371  1
  O  O17  4  0.4902  0.7284  0.1797  1
]