data_[Li4Ti4P16O48]
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 [15.3979]
_cell_length_b [7.8683]
_cell_length_c [9.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTi(PO3)4]
_chemical_formula_sum '[Li4 Ti4 P16 O48]'
_cell_volume [963.2836]
_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  0.0000  0.0000  0.0000  1
  Ti  Ti1  4  0.0000  0.3167  0.2500  1
  P  P2  8  0.1385  0.4395  0.6430  1
  P  P3  8  0.1478  0.1924  0.1009  1
  O  O4  8  0.0669  0.4845  0.7022  1
  O  O5  8  0.0901  0.1078  0.9344  1
  O  O6  8  0.0986  0.1725  0.2093  1
  O  O7  8  0.1053  0.3074  0.5059  1
  O  O8  8  0.1703  0.3900  0.0847  1
  O  O9  8  0.2397  0.3787  0.8030  1
]