data_[Cs1K1In2I5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3224]
_cell_length_b [6.3224]
_cell_length_c [10.9972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CsKIn2I5]
_chemical_formula_sum '[Cs1 K1 In2 I5]'
_cell_volume [439.5829]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.5000  0.2219  1.0
  I  I3  4  0.0000  0.5000  0.1999  1.0
  I  I4  1  0.5000  0.5000  0.5000  1.0
]