data_[K1Ce1In2I8]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2850]
_cell_length_b [9.8724]
_cell_length_c [7.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KCe(InI4)2]
_chemical_formula_sum '[K1 Ce1 In2 I8]'
_cell_volume [554.2697]
_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  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2546  0.5000  1.0
  I  I3  4  0.2469  0.2206  0.1551  1.0
  I  I4  2  0.2478  0.0000  0.6748  1.0
  I  I5  2  0.2819  0.5000  0.6394  1.0
]