data_[Ce8C8I4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5785]
_cell_length_b [4.2398]
_cell_length_c [6.7250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2C2I]
_chemical_formula_sum '[Ce8 C8 I4]'
_cell_volume [437.8890]
_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  0.1627  0.3125  0.6504  1.0
  C  C1  8  0.2242  0.1285  0.0270  1.0
  I  I2  4  0.0000  0.2096  0.2500  1.0
]