data_[K2Sc1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4629]
_cell_length_b [6.0964]
_cell_length_c [6.0975]
_cell_angle_alpha [61.5566]
_cell_angle_beta [88.8983]
_cell_angle_gamma [88.3868]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2ScF6]
_chemical_formula_sum '[K2 Sc1 F6]'
_cell_volume [145.8114]
_cell_formula_units_Z [1]
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  2  0.3037  0.3374  0.3241  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1967  0.7751  0.8785  1.0
  F  F3  2  0.2570  0.8737  0.3135  1.0
  F  F4  2  0.2628  0.3004  0.7925  1.0
]