data_[Cs4Ce2In2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Pmmn]
_cell_length_a [8.9365]
_cell_length_b [12.8610]
_cell_length_c [9.6069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2CeInI6]
_chemical_formula_sum '[Cs4 Ce2 In2 I12]'
_cell_volume [1104.1432]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0000  0.2866  0.1964  1.0
  Ce  Ce1  2  0.0000  0.0000  0.7802  1.0
  In  In2  2  0.0000  0.5000  0.7178  1.0
  I  I3  4  0.0000  0.2440  0.7818  1.0
  I  I4  4  0.2408  0.5000  0.4369  1.0
  I  I5  4  0.2413  0.0000  0.0186  1.0
]