data_[Sr1Ce1In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2/m]
_cell_length_a [7.5120]
_cell_length_b [9.6822]
_cell_length_c [8.0173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCe(InI4)2]
_chemical_formula_sum '[Sr1 Ce1 In2 I8]'
_cell_volume [582.9645]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2509  0.5000  1.0
  I  I3  4  0.2373  0.2332  0.8560  1.0
  I  I4  2  0.2245  0.0000  0.3191  1.0
  I  I5  2  0.2614  0.5000  0.3347  1.0
]