data_[Li2Ni4O8]
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 [P-1]
_cell_length_a [5.6423]
_cell_length_b [5.6847]
_cell_length_c [5.7374]
_cell_angle_alpha [119.1597]
_cell_angle_beta [91.4552]
_cell_angle_gamma [118.4730]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(NiO2)2]
_chemical_formula_sum '[Li2 Ni4 O8]'
_cell_volume [133.0663]
_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  0.1128  0.2349  0.8693  1.0
  Ni  Ni1  1  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni3  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni4  1  0.5000  0.5000  0.5000  1.0
  O  O5  2  0.2444  0.9552  0.7433  1.0
  O  O6  2  0.2539  0.4958  0.7146  1.0
  O  O7  2  0.2545  0.5213  0.2919  1.0
  O  O8  2  0.3009  0.0420  0.2722  1.0
]