data_[K4Ce4I4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9907]
_cell_length_b [9.4609]
_cell_length_c [11.6083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCeICl4]
_chemical_formula_sum '[K4 Ce4 I4 Cl16]'
_cell_volume [1285.6465]
_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  0.1161  0.5000  0.8761  1.0
  Ce  Ce1  4  0.1384  0.0000  0.7121  1.0
  I  I2  4  0.1289  0.0000  0.4367  1.0
  Cl  Cl3  8  0.1345  0.2723  0.6959  1.0
  Cl  Cl4  4  0.1214  0.0000  0.9251  1.0
  Cl  Cl5  4  0.1383  0.5000  0.1638  1.0
]