data_[K2Li2Cu2I6]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5763]
_cell_length_b [4.3317]
_cell_length_c [10.2304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiCuI3]
_chemical_formula_sum '[K2 Li2 Cu2 I6]'
_cell_volume [410.7957]
_cell_formula_units_Z [2]
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  2  0.1825  0.2500  0.2196  1.0
  Li  Li1  2  0.3586  0.7500  0.8787  1.0
  Cu  Cu2  2  0.0639  0.2500  0.5721  1.0
  I  I3  2  0.1218  0.2500  0.8443  1.0
  I  I4  2  0.2165  0.7500  0.5238  1.0
  I  I5  2  0.4506  0.7500  0.1654  1.0
]