data_[Li12Ti12P16O64]
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 [19.2979]
_cell_length_b [6.4560]
_cell_length_c [10.7136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3Ti3(PO4)4]
_chemical_formula_sum '[Li12 Ti12 P16 O64]'
_cell_volume [1334.4197]
_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  0.0688  0.1394  0.4711  1
  Li  Li1  4  0.0000  0.4094  0.7500  1
  Ti  Ti2  8  0.1546  0.4796  0.2485  1
  Ti  Ti3  4  0.2500  0.2500  0.0000  1
  P  P4  8  0.0802  0.3362  0.9917  1
  P  P5  8  0.1988  0.0179  0.7436  1
  O  O6  8  0.0176  0.2020  0.9616  1
  O  O7  8  0.0770  0.4526  0.1201  1
  O  O8  8  0.0858  0.4929  0.3867  1
  O  O9  8  0.1463  0.1979  0.9926  1
  O  O10  8  0.1537  0.1670  0.2775  1
  O  O11  8  0.1546  0.2083  0.7119  1
  O  O12  8  0.2457  0.4455  0.1466  1
  O  O13  8  0.2470  0.4757  0.8625  1
]