data_[Li12Al3Ni9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8771]
_cell_length_b [2.8771]
_cell_length_c [57.5939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4AlNi3O8]
_chemical_formula_sum '[Li12 Al3 Ni9 O24]'
_cell_volume [412.8747]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1249  1.0
  Li  Li1  6  0.0000  0.0000  0.3746  1.0
  Al  Al2  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  6  0.0000  0.0000  0.2501  1.0
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1.0
  O  O5  6  0.0000  0.0000  0.0642  1.0
  O  O6  6  0.0000  0.0000  0.1858  1.0
  O  O7  6  0.0000  0.0000  0.3157  1.0
  O  O8  6  0.0000  0.0000  0.4358  1.0
]