data_[Cs2K1Ce1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5636]
_cell_length_b [7.5663]
_cell_length_c [9.4170]
_cell_angle_alpha [95.7806]
_cell_angle_beta [104.7360]
_cell_angle_gamma [90.1995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2KCeCl8]
_chemical_formula_sum '[Cs2 K1 Ce1 Cl8]'
_cell_volume [449.7790]
_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
[
  Cs  Cs0  2  0.4088  0.4889  0.2188  1.0
  K  K1  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1410  0.6945  0.9123  1.0
  Cl  Cl4  2  0.1561  0.6053  0.4961  1.0
  Cl  Cl5  2  0.2445  0.1734  0.8753  1.0
  Cl  Cl6  2  0.2838  0.0260  0.2608  1.0
]