data_[K4Ce2F12]
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 [P2_1/c]
_cell_length_a [6.6005]
_cell_length_b [7.9886]
_cell_length_c [7.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CeF6]
_chemical_formula_sum '[K4 Ce2 F12]'
_cell_volume [363.2009]
_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  0.1665  0.0279  0.8125  1.0
  Ce  Ce1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.2021  0.1541  0.4477  1.0
  F  F3  4  0.2479  0.6988  0.9080  1.0
  F  F4  4  0.4366  0.0272  0.2005  1.0
]