data_[K4Ce4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5252]
_cell_length_b [15.2810]
_cell_length_c [7.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCeI4]
_chemical_formula_sum '[K4 Ce4 I16]'
_cell_volume [1051.8228]
_cell_formula_units_Z [4]
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  0.0000  0.3655  0.7500  1.0
  Ce  Ce1  4  0.0000  0.0004  0.2500  1.0
  I  I2  8  0.1091  0.1637  0.0761  1.0
  I  I3  8  0.2221  0.5642  0.7998  1.0
]