data_[Li1Ni2O4]
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 [2.8461]
_cell_length_b [4.9165]
_cell_length_c [5.1353]
_cell_angle_alpha [108.6467]
_cell_angle_beta [90.1973]
_cell_angle_gamma [92.2186]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(NiO2)2]
_chemical_formula_sum '[Li1 Ni2 O4]'
_cell_volume [68.0248]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.0326  0.2443  0.7859  1.0
  O  O4  2  0.4843  0.7783  0.7995  1.0
]