data_[Li24Sc3O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4909]
_cell_length_b [5.4909]
_cell_length_c [15.4675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8ScO6]
_chemical_formula_sum '[Li24 Sc3 O18]'
_cell_volume [403.8638]
_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  18  0.0139  0.6481  0.8801  1.0
  Li  Li1  6  0.0000  0.0000  0.3411  1.0
  Sc  Sc2  3  0.0000  0.0000  0.0000  1.0
  O  O3  18  0.0089  0.6901  0.0815  1.0
]