data_[Li20Ni4O16]
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 [Aea2]
_cell_length_a [4.7521]
_cell_length_b [8.6670]
_cell_length_c [9.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [41]
_chemical_formula_structural [Li5NiO4]
_chemical_formula_sum '[Li20 Ni4 O16]'
_cell_volume [387.3448]
_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  8  0.0269  0.2054  0.7533  1.0
  Li  Li1  8  0.0524  0.2137  0.0013  1.0
  Li  Li2  4  0.0000  0.0000  0.5187  1.0
  Ni  Ni3  4  0.0000  0.0000  0.2447  1.0
  O  O4  8  0.1672  0.1398  0.3742  1.0
  O  O5  8  0.2297  0.3710  0.6316  1.0
]