data_[Cs2In2Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.2863]
_cell_length_b [6.2863]
_cell_length_c [18.4372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CsInSnI4]
_chemical_formula_sum '[Cs2 In2 Sn2 I8]'
_cell_volume [728.5860]
_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  0.0000  0.0000  0.6336  1.0
  In  In1  2  0.0000  0.0000  0.3565  1.0
  Sn  Sn2  2  0.0000  0.0000  0.9977  1.0
  I  I3  4  0.0000  0.5000  0.4960  1.0
  I  I4  2  0.0000  0.0000  0.1849  1.0
  I  I5  2  0.0000  0.0000  0.8353  1.0
]