data_[Cs3Zn12In9I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [16.6796]
_cell_length_b [16.6796]
_cell_length_c [13.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsZn4(InI4)3]
_chemical_formula_sum '[Cs3 Zn12 In9 I36]'
_cell_volume [3311.7017]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  9  0.0000  0.4490  0.5000  1.0
  Zn  Zn2  3  0.0000  0.0000  0.5000  1.0
  In  In3  9  0.0000  0.5436  0.0000  1.0
  I  I4  18  0.0354  0.2143  0.1629  1.0
  I  I5  9  0.0000  0.6023  0.5000  1.0
  I  I6  9  0.0000  0.8473  0.5000  1.0
]