data_[Ce16C4I24N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [14.0886]
_cell_length_b [14.0886]
_cell_length_c [9.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ce4CI6N]
_chemical_formula_sum '[Ce16 C4 I24 N4]'
_cell_volume [1908.7566]
_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
[
  Ce  Ce0  8  0.0869  0.0869  0.1908  1
  Ce  Ce1  4  0.0901  0.9099  0.5000  1
  Ce  Ce2  4  0.1525  0.8475  0.0000  1
  C  C3  4  0.0358  0.9642  0.0000  1
  I  I4  16  0.0493  0.7360  0.2483  1
  I  I5  4  0.1709  0.1709  0.5000  1
  I  I6  4  0.2195  0.2195  0.0000  1
  N  N7  4  0.0000  0.0000  0.3484  1
]