data_[K1Li2I1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3686]
_cell_length_b [7.2155]
_cell_length_c [8.9464]
_cell_angle_alpha [69.3693]
_cell_angle_beta [84.2031]
_cell_angle_gamma [83.0526]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2ICl8]
_chemical_formula_sum '[K1 Li2 I1 Cl8]'
_cell_volume [381.1640]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4958  0.0273  0.3329  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1254  0.9662  0.2699  1.0
  Cl  Cl4  2  0.1576  0.3227  0.8727  1.0
  Cl  Cl5  2  0.3383  0.8132  0.9388  1.0
  Cl  Cl6  2  0.4257  0.2581  0.4577  1.0
]