data_[K3Li3In6I18]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3586]
_cell_length_b [8.3586]
_cell_length_c [21.4051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi(InI3)2]
_chemical_formula_sum '[K3 Li3 In6 I18]'
_cell_volume [1295.1436]
_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  0.5021  1.0
  Li  Li1  3  0.0000  0.0000  0.9798  1.0
  In  In2  3  0.0000  0.0000  0.3080  1.0
  In  In3  3  0.0000  0.0000  0.8041  1.0
  I  I4  9  0.0293  0.2903  0.8988  1.0
  I  I5  9  0.0334  0.6693  0.3994  1.0
]