data_[Cs4In8I16]
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 [Cm]
_cell_length_a [15.4417]
_cell_length_b [11.6367]
_cell_length_c [11.0722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs(InI2)2]
_chemical_formula_sum '[Cs4 In8 I16]'
_cell_volume [1493.5299]
_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  2  0.0333  0.0000  0.0318  1.0
  Cs  Cs1  2  0.4710  0.0000  0.2009  1.0
  In  In2  4  0.0047  0.7325  0.6377  1.0
  In  In3  2  0.1738  0.0000  0.5413  1.0
  In  In4  2  0.2540  0.5000  0.1378  1.0
  I  I5  4  0.0742  0.3232  0.0004  1.0
  I  I6  4  0.4477  0.3273  0.2765  1.0
  I  I7  2  0.1602  0.0000  0.8181  1.0
  I  I8  2  0.2114  0.5000  0.8334  1.0
  I  I9  2  0.3007  0.5000  0.4388  1.0
  I  I10  2  0.3452  0.0000  0.4188  1.0
]