data_[K2Ce1Cu1Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0843]
_cell_length_b [7.6211]
_cell_length_c [8.1783]
_cell_angle_alpha [74.6373]
_cell_angle_beta [71.9244]
_cell_angle_gamma [69.4566]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2CeCuCl8]
_chemical_formula_sum '[K2 Ce1 Cu1 Cl8]'
_cell_volume [386.9766]
_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  0.3980  0.3489  0.8322  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1822  0.6919  0.0397  1.0
  Cl  Cl4  2  0.2066  0.0466  0.7102  1.0
  Cl  Cl5  2  0.2198  0.6434  0.5172  1.0
  Cl  Cl6  2  0.2743  0.0841  0.2135  1.0
]