data_[Cs4Sr2Ce2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.9137]
_cell_length_b [12.8442]
_cell_length_c [9.0432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2SrCeI6]
_chemical_formula_sum '[Cs4 Sr2 Ce2 I12]'
_cell_volume [1035.3514]
_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  0.2710  0.2255  1.0
  Sr  Sr1  2  0.0000  0.5000  0.7396  1.0
  Ce  Ce2  2  0.0000  0.0000  0.7581  1.0
  I  I3  4  0.0000  0.2487  0.7605  1.0
  I  I4  4  0.2451  0.5000  0.4833  1.0
  I  I5  4  0.2487  0.0000  0.0079  1.0
]