data_[K1Ce1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0352]
_cell_length_b [5.3369]
_cell_length_c [5.8930]
_cell_angle_alpha [94.4455]
_cell_angle_beta [93.7736]
_cell_angle_gamma [92.4142]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCeF6]
_chemical_formula_sum '[K1 Ce1 F6]'
_cell_volume [126.1111]
_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  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.5000  1.0
  F  F2  2  0.0363  0.3090  0.6099  1.0
  F  F3  2  0.3528  0.5811  0.1107  1.0
  F  F4  2  0.4838  0.8454  0.7026  1.0
]