data_[Li20Ti4P12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0588]
_cell_length_b [5.8761]
_cell_length_c [8.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5TiP3]
_chemical_formula_sum '[Li20 Ti4 P12]'
_cell_volume [599.5945]
_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  0.1708  0.2407  0.5737  1.0
  Li  Li1  8  0.1712  0.2594  0.0974  1.0
  Li  Li2  4  0.0000  0.2709  0.2500  1.0
  Ti  Ti3  4  0.0000  0.2339  0.7500  1.0
  P  P4  8  0.1544  0.4665  0.8264  1.0
  P  P5  4  0.0000  0.0000  0.0000  1.0
]