data_[Ce2I5Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [9.0781]
_cell_length_b [4.3902]
_cell_length_c [9.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ce2I5Cl]
_chemical_formula_sum '[Ce2 I5 Cl1]'
_cell_volume [323.4694]
_cell_formula_units_Z [1]
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  1  0.3453  0.0000  0.6664  1
  Ce  Ce1  1  0.6916  0.5000  0.3656  1
  I  I2  1  0.0959  0.5000  0.3983  1
  I  I3  1  0.2689  0.5000  0.8793  1
  I  I4  1  0.3969  0.0000  0.3069  1
  I  I5  1  0.6315  0.5000  0.7149  1
  I  I6  1  0.6973  0.0000  0.1005  1
  Cl  Cl7  1  0.8726  0.0000  0.5682  1
]