data_[Cs4In8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.9802]
_cell_length_b [14.6920]
_cell_length_c [9.4945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(InI3)2]
_chemical_formula_sum '[Cs4 In8 I24]'
_cell_volume [2209.2577]
_cell_formula_units_Z [4]
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  4  0.0000  0.1703  0.7500  1.0
  In  In1  8  0.2164  0.4127  0.6714  1.0
  I  I2  8  0.1093  0.0572  0.1777  1.0
  I  I3  8  0.1443  0.4978  0.8592  1.0
  I  I4  8  0.1836  0.2264  0.6567  1.0
]