data_[K2Ce2Cu4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7078]
_cell_length_b [8.2488]
_cell_length_c [10.2590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCe(CuI4)2]
_chemical_formula_sum '[K2 Ce2 Cu4 I16]'
_cell_volume [1075.3334]
_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  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1488  0.5000  0.7543  1.0
  I  I3  8  0.0102  0.2581  0.7844  1.0
  I  I4  4  0.2241  0.5000  0.5290  1.0
  I  I5  4  0.2374  0.0000  0.0298  1.0
]