data_[Ce1Se4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7861]
_cell_length_b [7.8949]
_cell_length_c [8.2148]
_cell_angle_alpha [105.3414]
_cell_angle_beta [93.3553]
_cell_angle_gamma [98.6756]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce(Se2I3)2]
_chemical_formula_sum '[Ce1 Se4 I6]'
_cell_volume [478.8297]
_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  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.3101  0.3814  0.5212  1.0
  Se  Se2  2  0.4536  0.6817  0.6392  1.0
  I  I3  2  0.0729  0.6364  0.7973  1.0
  I  I4  2  0.2049  0.9641  0.3165  1.0
  I  I5  2  0.3271  0.1920  0.9119  1.0
]