data_[Cs2Sr2In2I8]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.4536]
_cell_length_b [6.4536]
_cell_length_c [18.6792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CsSrInI4]
_chemical_formula_sum '[Cs2 Sr2 In2 I8]'
_cell_volume [777.9567]
_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  0.6323  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0001  1.0
  In  In2  2  0.0000  0.0000  0.3504  1.0
  I  I3  4  0.0000  0.5000  0.0030  1.0
  I  I4  2  0.0000  0.0000  0.1815  1.0
  I  I5  2  0.0000  0.0000  0.8296  1.0
]