data_[Li3La6I3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9720]
_cell_length_b [5.9720]
_cell_length_c [14.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiLa2IO6]
_chemical_formula_sum '[Li3 La6 I3 O18]'
_cell_volume [436.4755]
_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  3  0.0000  0.0000  0.1781  1.0
  La  La1  3  0.0000  0.0000  0.4468  1.0
  La  La2  3  0.0000  0.0000  0.9631  1.0
  I  I3  3  0.0000  0.0000  0.6832  1.0
  O  O4  9  0.0683  0.3642  0.7538  1.0
  O  O5  9  0.0944  0.7128  0.2645  1.0
]