data_[K3O36F21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0633]
_cell_length_b [11.0633]
_cell_length_c [7.8171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KO12F7]
_chemical_formula_sum '[K3 O36 F21]'
_cell_volume [828.6015]
_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  3  0.0000  0.0000  0.0000  1
  O  O1  18  0.0360  0.8153  0.6091  1
  O  O2  18  0.0714  0.5818  0.9179  1
  F  F3  18  0.0069  0.7769  0.8716  1
  F  F4  3  0.0000  0.0000  0.5000  1
]