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/c]
_cell_length_a [5.0275]
_cell_length_b [14.8462]
_cell_length_c [5.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TiNi2O5]
_chemical_formula_sum '[Li8 Ti4 Ni8 O20]'
_cell_volume [358.9339]
_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  0.2510  0.2500  1.0
  Li  Li1  4  0.0000  0.4464  0.2500  1.0
  Ti  Ti2  4  0.0000  0.3537  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0487  0.2500  1.0
  Ni  Ni4  4  0.0000  0.1524  0.7500  1.0
  O  O5  8  0.2384  0.6482  0.0164  1.0
  O  O6  8  0.2464  0.4437  0.9937  1.0
  O  O7  4  0.2500  0.2500  0.0000  1.0
]