data_[Cs2In4I16]
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/m]
_cell_length_a [18.2065]
_cell_length_b [10.0610]
_cell_length_c [8.2643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(InI4)2]
_chemical_formula_sum '[Cs2 In4 I16]'
_cell_volume [1433.8554]
_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  0.0000  1.0
  In  In1  4  0.1774  0.0000  0.6773  1.0
  I  I2  8  0.0893  0.2210  0.7076  1.0
  I  I3  4  0.1925  0.5000  0.0374  1.0
  I  I4  4  0.2064  0.0000  0.3727  1.0
]