data_[K6Cd3Cu9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  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 [7.3902]
_cell_length_b [7.3902]
_cell_length_c [17.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2CdCu3F12]
_chemical_formula_sum '[K6 Cd3 Cu9 F36]'
_cell_volume [813.5702]
_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  0.3757  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0096  0.5048  0.6112  1.0
  F  F4  18  0.0766  0.5383  0.8348  1.0
]