data_[K3Na6Sc3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8809]
_cell_length_b [5.8809]
_cell_length_c [15.7779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KNa2ScF6]
_chemical_formula_sum '[K3 Na6 Sc3 F18]'
_cell_volume [472.5720]
_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  0.1951  1.0
  Na  Na1  3  0.0000  0.0000  0.4730  1.0
  Na  Na2  3  0.0000  0.0000  0.9852  1.0
  Sc  Sc3  3  0.0000  0.0000  0.6776  1.0
  F  F4  9  0.0102  0.3060  0.7422  1.0
  F  F5  9  0.0367  0.7540  0.5938  1.0
]