data_[Li8Ni8O16]
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 [8.0650]
_cell_length_b [8.2764]
_cell_length_c [5.7317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNiO2]
_chemical_formula_sum '[Li8 Ni8 O16]'
_cell_volume [272.2465]
_cell_formula_units_Z [8]
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  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  4  0.2500  0.2500  0.0000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  2  0.0000  0.5000  0.5000  1.0
  O  O6  4  0.0000  0.2685  0.5000  1.0
  O  O7  4  0.0000  0.2698  0.0000  1.0
  O  O8  4  0.2215  0.5000  0.4676  1.0
  O  O9  4  0.2420  0.5000  0.0139  1.0
]