data_[K4Na2Sc2F12]
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 [P2_1/c]
_cell_length_a [6.0546]
_cell_length_b [6.0718]
_cell_length_c [10.5079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaScF6]
_chemical_formula_sum '[K4 Na2 Sc2 F12]'
_cell_volume [315.6598]
_cell_formula_units_Z [2]
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  4  0.2473  0.0225  0.2501  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1730  0.2328  0.9733  1.0
  F  F4  4  0.2416  0.7013  0.9750  1.0
  F  F5  4  0.2846  0.0114  0.7343  1.0
]