data_[Ce20Ge8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.1040]
_cell_length_b [7.5425]
_cell_length_c [8.3373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(GeI)2]
_chemical_formula_sum '[Ce20 Ge8 I8]'
_cell_volume [1075.5615]
_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  0.0684  0.6879  0.7177  1
  Ce  Ce1  8  0.1676  0.1313  0.8664  1
  Ce  Ce2  4  0.2500  0.6938  0.9946  1
  Ge  Ge3  4  0.0000  0.0000  0.9331  1
  Ge  Ge4  4  0.2500  0.0335  0.1845  1
  I  I5  8  0.0997  0.0394  0.5278  1
]