data_[Li12Ti8P12O48]
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 [C2/c]
_cell_length_a [14.9893]
_cell_length_b [8.8556]
_cell_length_c [8.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3Ti2(PO4)3]
_chemical_formula_sum '[Li12 Ti8 P12 O48]'
_cell_volume [961.4099]
_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  8  0.1860  0.3711  0.2917  1
  Li  Li1  4  0.0000  0.1321  0.2500  1
  Ti  Ti2  8  0.1055  0.2479  0.6408  1
  P  P3  8  0.1402  0.1128  0.0458  1
  P  P4  4  0.0000  0.4494  0.2500  1
  O  O5  8  0.0444  0.1608  0.0571  1
  O  O6  8  0.0628  0.4581  0.6887  1
  O  O7  8  0.0863  0.3421  0.4034  1
  O  O8  8  0.1157  0.1468  0.8499  1
  O  O9  8  0.1636  0.0591  0.5770  1
  O  O10  8  0.2359  0.2020  0.1984  1
]