data_[Li2Ni8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8732]
_cell_length_b [5.5983]
_cell_length_c [5.2791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(NiO2)4]
_chemical_formula_sum '[Li2 Ni8 O16]'
_cell_volume [275.9102]
_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  0.5000  1.0
  Ni  Ni1  4  0.0000  0.2502  0.0000  1.0
  Ni  Ni2  4  0.2483  0.5000  0.9890  1.0
  O  O3  8  0.1293  0.2427  0.8094  1.0
  O  O4  4  0.1079  0.0000  0.2057  1.0
  O  O5  4  0.1109  0.5000  0.1957  1.0
]