data_[Li4Ti6Ni2O16]
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 [P6_3mc]
_cell_length_a [5.9340]
_cell_length_b [5.9340]
_cell_length_c [9.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li2Ti3NiO8]
_chemical_formula_sum '[Li4 Ti6 Ni2 O16]'
_cell_volume [295.6658]
_cell_formula_units_Z [2]
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  0.0000  0.4993  1
  Li  Li1  2  0.3333  0.6667  0.8883  1
  Ti  Ti2  6  0.1688  0.8312  0.2151  1
  Ni  Ni3  2  0.3333  0.6667  0.4898  1
  O  O4  6  0.0365  0.5183  0.3303  1
  O  O5  6  0.1590  0.3181  0.6072  1
  O  O6  2  0.0000  0.0000  0.3152  1
  O  O7  2  0.3333  0.6667  0.1038  1
]