data_[K12Li3I15]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8895]
_cell_length_b [4.8895]
_cell_length_c [61.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4LiI5]
_chemical_formula_sum '[K12 Li3 I15]'
_cell_volume [1269.7472]
_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  6  0.0000  0.0000  0.1054  1.0
  K  K1  6  0.0000  0.0000  0.2982  1.0
  Li  Li2  3  -0.0000  -0.0000  0.5000  1.0
  I  I3  6  0.0000  0.0000  0.1923  1.0
  I  I4  6  0.0000  0.0000  0.4037  1.0
  I  I5  3  0.0000  0.0000  0.0000  1.0
]