data_[K18Sb3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5519]
_cell_length_b [11.5519]
_cell_length_c [10.7746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K6SbF12]
_chemical_formula_sum '[K18 Sb3 F36]'
_cell_volume [1245.2073]
_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  18  0.0315  0.7938  0.6397  1.0
  Sb  Sb1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0277  0.7972  0.3967  1.0
  F  F3  18  0.0358  0.8845  0.8982  1.0
]