data_[Cs2Li2Fe2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7138]
_cell_length_b [8.3133]
_cell_length_c [11.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiFeI4]
_chemical_formula_sum '[Cs2 Li2 Fe2 I8]'
_cell_volume [589.9360]
_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  2  0.3296  0.2500  0.1342  1.0
  Li  Li1  2  0.1039  0.2500  0.5091  1.0
  Fe  Fe2  2  0.1698  0.7500  0.2915  1.0
  I  I3  4  0.0742  0.5009  0.6971  1.0
  I  I4  2  0.2658  0.7500  0.0809  1.0
  I  I5  2  0.4800  0.7500  0.4959  1.0
]