data_[K4Li4I8]
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 [C2/m]
_cell_length_a [17.5934]
_cell_length_b [4.5949]
_cell_length_c [8.3221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLiI2]
_chemical_formula_sum '[K4 Li4 I8]'
_cell_volume [619.9114]
_cell_formula_units_Z [4]
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  4  0.1304  0.0000  0.0818  1
  Li  Li1  4  0.1075  0.5000  0.6059  1
  I  I2  4  0.0130  0.5000  0.2513  1
  I  I3  4  0.2038  0.0000  0.7239  1
]