data_[Li12Sc9Al3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1004]
_cell_length_b [6.1004]
_cell_length_c [14.7200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4Sc3AlO8]
_chemical_formula_sum '[Li12 Sc9 Al3 O24]'
_cell_volume [474.4079]
_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  9  0.0000  0.5000  0.5000  1.0
  Li  Li1  3  -0.0000  -0.0000  0.5000  1.0
  Sc  Sc2  9  0.0000  0.5000  0.0000  1.0
  Al  Al3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0183  0.5091  0.7415  1.0
  O  O5  6  0.0000  0.0000  0.2566  1.0
]