data_[K3Li6La3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9967]
_cell_length_b [7.9967]
_cell_length_c [21.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi2LaI6]
_chemical_formula_sum '[K3 Li6 La3 I18]'
_cell_volume [1200.1417]
_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
[
  K  K0  3  0.0000  0.0000  0.8052  1
  Li  Li1  3  0.0000  0.0000  0.0063  1
  Li  Li2  3  0.0000  0.0000  0.5124  1
  La  La3  3  0.0000  0.0000  0.3206  1
  I  I4  9  0.0016  0.3577  0.2545  1
  I  I5  9  0.0746  0.7370  0.0843  1
]