data_[Ce4In8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.3553]
_cell_length_b [9.8173]
_cell_length_c [9.1886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeIn2I5]
_chemical_formula_sum '[Ce4 In8 I20]'
_cell_volume [1294.9570]
_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  4  0.0039  0.7500  0.9183  1
  In  In1  8  0.1773  0.0067  0.4565  1
  I  I2  8  0.0822  0.0456  0.8329  1
  I  I3  4  0.0045  0.7500  0.5640  1
  I  I4  4  0.1836  0.7500  0.1277  1
  I  I5  4  0.2118  0.2500  0.1690  1
]