data_[Li12Ti4P8O32]
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 [4.9939]
_cell_length_b [18.0280]
_cell_length_c [7.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3Ti(PO4)2]
_chemical_formula_sum '[Li12 Ti4 P8 O32]'
_cell_volume [570.2247]
_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  0.0345  0.5508  0.7933  1
  Li  Li1  4  0.2850  0.1225  0.5040  1
  Li  Li2  4  0.3793  0.6988  0.1894  1
  Ti  Ti3  4  0.1939  0.6268  0.4886  1
  P  P4  4  0.1038  0.2146  0.7858  1
  P  P5  4  0.4972  0.0364  0.2263  1
  O  O6  4  0.0290  0.1719  0.5949  1
  O  O7  4  0.1300  0.1995  0.2604  1
  O  O8  4  0.1683  0.0658  0.0242  1
  O  O9  4  0.1768  0.6988  0.6850  1
  O  O10  4  0.2003  0.5603  0.2757  1
  O  O11  4  0.4468  0.1917  0.9898  1
  O  O12  4  0.4571  0.5662  0.0776  1
  O  O13  4  0.4952  0.0511  0.7734  1
]