data_[K6Li3Cu9F36]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3640]
_cell_length_b [7.3640]
_cell_length_c [16.6876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2LiCu3F12]
_chemical_formula_sum '[K6 Li3 Cu9 F36]'
_cell_volume [783.6991]
_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  0.3663  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0453  0.5226  0.6088  1.0
  F  F4  18  0.0773  0.5386  0.8494  1.0
]