data_[Li6Ni6O12]
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 [4.9949]
_cell_length_b [8.7449]
_cell_length_c [5.0418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNiO2]
_chemical_formula_sum '[Li6 Ni6 O12]'
_cell_volume [208.7278]
_cell_formula_units_Z [6]
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  0.0000  0.3335  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.0000  0.1667  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  O  O4  8  0.2445  0.1726  0.2761  1.0
  O  O5  4  0.2306  0.0000  0.7324  1.0
]