data_[Li8Ti4Ni8O20]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1515]
_cell_length_b [14.5552]
_cell_length_c [5.1830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2TiNi2O5]
_chemical_formula_sum '[Li8 Ti4 Ni8 O20]'
_cell_volume [362.2407]
_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  2  0.0000  0.1025  0.0000  1.0
  Li  Li1  2  0.0000  0.4002  0.5000  1.0
  Li  Li2  2  0.0000  0.6985  0.0000  1.0
  Li  Li3  2  0.0000  0.7983  0.5000  1.0
  Ti  Ti4  2  0.0000  0.2010  0.5000  1.0
  Ti  Ti5  2  0.0000  0.9002  0.0000  1.0
  Ni  Ni6  2  0.0000  0.2984  0.0000  1.0
  Ni  Ni7  2  0.0000  0.5039  0.0000  1.0
  Ni  Ni8  2  0.0000  0.6000  0.5000  1.0
  Ni  Ni9  2  0.0000  0.9990  0.5000  1.0
  O  O10  4  0.2276  0.2001  0.2735  1.0
  O  O11  4  0.2355  0.9015  0.7716  1.0
  O  O12  4  0.2411  0.9946  0.2414  1.0
  O  O13  4  0.2484  0.2999  0.7558  1.0
  O  O14  4  0.2485  0.1030  0.7351  1.0
]